![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 fheartan corporra | Luach | Staid |
| Cuideam Molecular | 721.80 | - |
| Rubha leaghaidh (Deuchainneach) | 107-110 ° C | - |
| Dùmhlachd (Ro-innse) | 1.26 ± 0.1 g / cm3 | Teòthachd: 20 ° C;Brùth: 760 Torr |
| pKa (Air a ro-innse) | 8.60±0.40 | Teòthachd as searbhach: 25 °C |
Canonical SMILES 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
SMILES 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/h5-22 ,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
Iuchrach InChI
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Ainmean Eile air son an Fhois so
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI);10: PN: WO03084478 DUILLEAG: 57 tagradh RNA;12: PN: US20030170636 DUILLEAG: 17 tagradh R NA;13: PN: US20030212017 DUILLEAG: 19 tagradh R NA;14: PN: US20030
211606 DUILLEAG: 19 tagradh R NA;15: PN: US20040005569 DUILLEAG: 22 tagradh R NA;16: PN: US20040006030 DUILLEAG: 22 tagradh R NA;16: PN: US20040014048 DUILLEAG: 20 tagradh R NA;17: PN: US20030171313 DUILLEAG: 9 tagradh R NA;17: PN: US20040005565 DUILLEAG: 17- 22 tagradh RNA;17: PN: US20040005570 DUILLEAG: 20 tagradh R NA;17: PN: US20040014047 DUILLEAG: 20 tagradh R NA;17: PN: US20040 014050 DUILLEAG: 20 tagradh R NA;18: PN: US20030198965 DUILLEAG: 19 tagradh R NA;18: PN: US20040014699 DUILLEAG: 20 tagradh R NA;19: PN: US20040006029 DUILLEAG: 23 tagradh R NA;19: PN: WO03106645 DUILLEAG: 71 tagradh R NA;59: PN: US20030166592 DUILLEAG: 15 tagradh RNA;6: PN: WO2005006958 DUILLEAG: 62 tagradh R NA;83: PN: US20040171566 DUILLEAG: 18 tagradh R NA;8: PN: WO2005007825
DUILLEAG: 62 tagradh R NA;90: PN: US20040005707 DUILLEAG: 20 tagradh R NA;N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytrityl-5-
methylcytidine
| Togalaichean rim faighinn |
| Teirmeach |
Teirmeach
| Seilbh | Luach | Staid | Stòr |
| Rubha leaghaidh | 107-110 ° C | (1) CAS | |
(1) Penjarla, Srishylam;Nucleosides, Nucleotides & Acids Niùclasach, (2018), 37(4), 232-247, CAplus
Spectra ri fhaighinn
1H NMR
13C NMR
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar Co-cheangailte |
Bith-eòlasach
| Seilbh | Luach | Staid | 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 | Staid | 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 a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimigeach
| Seilbh | Luach | Staid | 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 |
| Mòr-fhuasgladh gnèitheach | 1.3 x 10-4 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.011 g/L | pH 1;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.0 x 10-3 g/L | pH 2;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 8.7 x 10-4 g/L | pH 3;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.1 x 10-4 g/L | pH 4;Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Fuasgladh mòr | 1.4 x 10-4 g/L | pH 5;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.3 x 10-4 g/L | pH 6;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.4 x 10-4 g/L | pH 7;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.3 x 10-4 g/L | pH 8;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.1 x 10-3 g/L | pH 9;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.8 x 10-3 g/L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.4 x 10-4 g/L | Uisge gun bhacadh pH 6.97;Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 1.8 x 10-7 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.5 x 10-5 mol / l | pH 1;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.9 x 10-6 mol/L | pH 2;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.2 x 10-6 mol/L | pH 3;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-7 mol/L | pH 4;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.9 x 10-7 mol/L | pH 5;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.8 x 10-7 mol/L | pH 6;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.9 x 10-7 mol/L | pH 7;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.2 x 10-7 mol/L | pH 8;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.5 x 10-6 mol/L | pH 9;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 8.0 x 10-6 mol/L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.9 x 10-7 mol/L | Uisge gun bhacadh pH 6.97;Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 721.80 | ||
| pKa | 8.60±0.40 | Teòthachd as searbhach: 25 °C | (1) ACD |
| pKa | 3.87±0.20 | Teòthachd as bunaitiche: 25 °C | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dùmhlachd
| Seilbh | Luach | Staid | Stòr |
| Dùmhlachd | 1.26 ± 0.1 g / cm3 | Teòthachd: 20 ° C;Brùth: 760 Torr | (1) ACD |
| Meud Molar | 572.5 ± 7.0 cm3 / mol | Teòthachd: 20 ° C;Brùth: 760 Torr | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Seilbh | Luach | Staid | Stòr |
| Bannan Rotatable an-asgaidh | 15 | (1) ACD | |
| Seilbh | Luach | Staid | Stòr |
| H Luchd-gabhail | 12 | (1) ACD | |
| H Luchd-tabhartais | 2 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 14 | (1) ACD | |
| logP | 6.093±0.720 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 721.80 |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structar Co-cheangailte
| Seilbh | Luach | Staid | Stòr |
| Raon uachdar Polar | 137 A2 | (1) ACD | |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ri fhaighinn
1H NMR
13C NMR
| Còd | Aithris Cunnart | Stòr |
| H335 | Dh’ fhaodadh irioslachd analach adhbhrachadh | Clàr Seòrsachadh & Labeling Buidheann Ceimigeach na h-Eòrpa (ECHA) - Seòrsachadh fiosraichte agus bileagan - fiosan as cumanta, Clàr Seòrsachadh is Labeling Buidheann Ceimigeach na h-Eòrpa (ECHA) - Seòrsachadh fiosraichte agus bileagan - fiosan as miosa |
| H319 | Bidh e ag adhbhrachadh irioslachd mòr nan sùilean | Clàr Seòrsachadh & Labeling Buidheann Ceimigeach na h-Eòrpa (ECHA) - Seòrsachadh fiosraichte agus bileagan - fiosan as cumanta, Clàr Seòrsachadh is Labeling Buidheann Ceimigeach na h-Eòrpa (ECHA) - Seòrsachadh fiosraichte agus bileagan - fiosan as miosa |
| H315 | Ag adhbhrachadh irritachadh craiceann | Clàr Seòrsachadh & Labeling Buidheann Ceimigeach na h-Eòrpa (ECHA) - Seòrsachadh fiosraichte agus bileagan - fiosan as cumanta, Clàr Seòrsachadh is Labeling Buidheann Ceimigeach na h-Eòrpa (ECHA) - Seòrsachadh fiosraichte agus bileagan - fiosan as miosa |
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