![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315 Ìomhaigh Sònraichte](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315
| Prìomh Thogalaichean Fiosaigeach | Luach | Suidheachadh |
| Cuideam Moileciuil | 721.80 | - |
| Puing Leaghaidh (Deuchainneach) | 107-110 °C | - |
| Dlùths (Ro-innse) | 1.26±0.1 g/cm3 | Teòthachd: 20 °C; Brùthadh: 760 Torr |
| pKa (Ro-innse) | 8.60±0.40 | Teòthachd as searbhaiche: 25 °C |
Gàire Canònach O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OCCOC)C
Gàire Isomeric
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5) C6=CC=CC=C6
InChI
InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11 -7-5-8-12-28)39-36(51-24-23-48-2)35(45)34(53-39)26-52-41(29-13)
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18-31/u5-22,25,34-36,39,45U,23-24,26U2,1-4U3,(U,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
Iuchair InChI
LE SCLUAIKFEFAH-LZURGKRNSA-N
23 Ainmean Eile airson a’ Stuth seo
N-Beinsoil-5′-O-[bis(4-methocsaiphenyl)phenylmethyl]-2′-O-(2-methocsaiethyl)-5-meitiolcytidine (ACI); 10: PN: WO03084478 DUILLEAG: 57 RNA air a thagradh; 12: PN: US20030170636 DUILLEAG: 17 air a thagradh R NA; 13: PN: US20030212017 DUILLEAG: 19 air a thagradh R NA; 14: PN: US20030
211606 DUILLEAG: 19 air a thagradh R NA; 15: PN: US20040005569 DUILLEAG: 22 air a thagradh R NA; 16: PN: US20040006030 DUILLEAG: 22 air a thagradh R NA; 16: PN: US20040014048 DUILLEAG: 20 air a thagradh R NA; 17: PN: US20030171313 DUILLEAG: 9 air a thagradh R NA; 17: PN: US20040005565 DUILLEAG: 17- 22 air a thagradh RNA; 17: PN: US20040005570 DUILLEAG: 20 air a thagradh R NA; 17: PN: US20040014047 DUILLEAG: 20 air a thagradh R NA; 17: PN: US20040 014050 DUILLEAG: 20 air a thagradh R NA; 18: PN: US20030198965 DUILLEAG: 19 air a thagradh R NA; 18: PN: US20040014699 DUILLEAG: 20 air a thagradh R NA; 19: PN: US20040006029 DUILLEAG: 23 air a thagradh R NA; 19: PN: WO03106645 DUILLEAG: 71 air a thagradh R NA; 59: PN: US20030166592 DUILLEAG: 15 air a thagradh RNA; 6: PN: WO2005006958 DUILLEAG: 62 air a thagradh R NA; 83: PN: US20040171566 DUILLEAG: 18 air a thagradh R NA; 8: PN: WO2005007825
DUILLEAG: 62 air a thagradh R NA; 90: PN: US20040005707 DUILLEAG: 20 air a thagradh R NA; N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytrityl-5-
methylcytidine
| Togalaichean a tha rim faighinn |
| Teirmeach |
Teirmeach
| Seilbh | Luach | Suidheachadh | Stòr |
| Puing Leaghaidh | 107-110 °C | (1) CAS | |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
Speactra ri fhaighinn
1H NMR
13C NMR
| Togalaichean a tha rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dlùths |
| Lipinski |
| Co-cheangailte ri Structar |
Bith-eòlasach
| Seilbh | Luach | Suidheachadh | Stòr |
| Factar Bith-chruinneachaidh | 291 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 644 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 3690 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 15600 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 23700 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 24800 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Factar Bith-chruinneachaidh | 23300 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 14100 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 3010 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar Bith-chruinneachaidh | 558 | pH 10; Teòthachd: 25 °C | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimigeach
| Seilbh | Luach | Suidheachadh | Stòr |
| Còc | 569 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 1260 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 7210 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 30400 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 46300 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 48500 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 45500 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Còc | 27500 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 5890 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 1090 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 4.16 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 4.50 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 5.26 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 5.88 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 6.07 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 6.09 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 6.06 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 5.84 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 5.17 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 4.44 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 6.093±0.720 | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Tomad | 1.3 x 10-4 g/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 0.011 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 5.0 x 10-3 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 8.7 x 10-4 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 2.1 x 10-4 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| So-sgaoilteachd mais | 1.4 x 10-4 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.3 x 10-4 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.4 x 10-4 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 2.3 x 10-4 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.1 x 10-3 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 5.8 x 10-3 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.4 x 10-4 g/L | Uisge gun bhùfradh pH 6.97; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Molar | 1.8 x 10-7 mol/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.5 x 10-5 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 6.9 x 10-6 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.2 x 10-6 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 2.9 x 10-7 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.9 x 10-7 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.8 x 10-7 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.9 x 10-7 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 3.2 x 10-7 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.5 x 10-6 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 8.0 x 10-6 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.9 x 10-7 mol/L | Uisge gun bhùfradh pH 6.97; Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 721.80 | ||
| pKa | 8.60±0.40 | Teòthachd as searbhaiche: 25 °C | (1) ACD |
| pKa | 3.87±0.20 | Teòthachd as Bunasaiche: 25 °C | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dlùths
| Seilbh | Luach | Suidheachadh | Stòr |
| Dlùths | 1.26±0.1 g/cm3 | Teòthachd: 20 °C; Brùthadh: 760 Torr | (1) ACD |
| Meud Molar | 572.5±7.0 cm3/mol | Teòthachd: 20 °C; Brùthadh: 760 Torr | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Seilbh | Luach | Suidheachadh | Stòr |
| Ceanglaichean a ghabhas rothladh gu saor | 15 | (1) ACD | |
| Seilbh | Luach | Suidheachadh | Stòr |
| Gabhadairean H | 12 | (1) ACD | |
| Luchd-tabhartais H | 2 | (1) ACD | |
| Suim Tabhartaiche/Gabhadair H | 14 | (1) ACD | |
| logP | 6.093±0.720 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 721.80 |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Co-cheangailte ri Structar
| Seilbh | Luach | Suidheachadh | Stòr |
| Raon Uachdar Pòlach | 137 A2 | (1) ACD | |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Speactra ri fhaighinn
1H NMR
13C NMR
| Còd | Aithris Cunnart | Stòr |
| H335 | Dh’fhaodadh e irioslachd analach adhbhrachadh | Clàr-seòrsachaidh is bileagan Buidheann Cheimigeach na h-Eòrpa (ECHA) - Seòrsachadh is bileagan air an cur an cèill - na fiosan as cumanta, Clàr-seòrsachaidh is bileagan Buidheann Cheimigeach na h-Eòrpa (ECHA) - Seòrsachadh is bileagan air an cur an cèill - na fiosan as cunnartaiche |
| H319 | Ag adhbhrachadh irioslachd throm nan sùilean | Clàr-seòrsachaidh is bileagan Buidheann Cheimigeach na h-Eòrpa (ECHA) - Seòrsachadh is bileagan air an cur an cèill - na fiosan as cumanta, Clàr-seòrsachaidh is bileagan Buidheann Cheimigeach na h-Eòrpa (ECHA) - Seòrsachadh is bileagan air an cur an cèill - na fiosan as cunnartaiche |
| H315 | Adhbharan irioslachd craicinn | Clàr-seòrsachaidh is bileagan Buidheann Cheimigeach na h-Eòrpa (ECHA) - Seòrsachadh is bileagan air an cur an cèill - na fiosan as cumanta, Clàr-seòrsachaidh is bileagan Buidheann Cheimigeach na h-Eòrpa (ECHA) - Seòrsachadh is bileagan air an cur an cèill - na fiosan as cunnartaiche |
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