![C50H60N5O10P Cytidine, N-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -O- (2-methoxyethyl) - 5-methyl-, 3 ′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P Cytidine, N-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -O- (2-methoxyethyl) - 5-methyl-, 3 ′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI) Ìomhaigh sònraichte](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Cytidine, N-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -O- (2-methoxyethyl) - 5-methyl-, 3 ′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)
Àireamh Clàraidh CAS
163759-94-2
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 922.01 | - |
| pKa (Air a ro-innse) | 8.59±0.40 | Teòthachd as searbhach: 25 °C |
SMILES Canonical
N#CCCOP(OC1C(OC(N2C=C(C(=NC2=O))NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C 6)N(C(C)C)C(C)C
SMILES Isomeric
C(OC[C@H]1[C@H](OP(N(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)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/C50H60N5O10P/c1-34(2)55(35(3)4)66(63-29-15-28-51)65-44-43(33-62-50(38-18-13-) 10-14-19-38,39-20-24-41(59-7)25-21-39)40-22-26-42(60-8)27-23-40)64-48(45( 44)61-31-30-58-6)54-32-36(5)46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/ h9-14,16-27,32,34- 35,43-45,48H,15,29-31,33H2,1-8H3,(H,52,53,56,57)/t43-,44-, 45-,48-,66?/m1/s1
Iuchrach InChI
FLIGVMLIIDVDSN-GICDFOIUSA-N
26 Ainmean eile air son an t-Suim so
Citidine,N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl) - 5-methyl-, 3′ - [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI);12: PN: WO03084478 DUILLEAG: 57 tagradh DNA;14: PN: US20030170636 DUILLEAG: 17 tagradh DNA;15: PN: U
S20030211606 DUILLEAG: 19 tagradh DNA;15: PN: US20030212017 DUILLEAG: 19 tagradh DNA;16: PN: US20040005569 DUILLEAG: 22 tagradh DNA;17: PN: US20040006030 DUILLEAG: 23 tagradh DNA;17: PN: US20040014049 DUILLEAG: 20 tagradh DNA;18: PN: US20040014047 PAG E: 20 tagradh DNA;18: PN: US20040014048 DUILLEAG: 20 tagradh DNA;18: PN: US20040014050 DUILLEAG: 20 tagradh DNA;19: PN: U
S20030171313 DUILLEAG: 9 tagradh DNA;19: PN: US20030198965 DUILLEAG: 20 tagradh DNA;19: PN: US20040005565 DUILLEAG: 17- 22 tagradh DNA;19: PN: US20040005570 DUILLEAG: 20 tagradh DNA;19: PN: US20040014051 DUILLEAG: 22 tagradh DNA;20: PN: US20040014699 PAG
E: 20 tagradh DNA;21: PN: US20040006029 DUILLEAG: 23 tagradh DNA;21: PN: WO03106645 DUILLEAG: 72 tagradh DNA;61: PN: US20030
166592 DUILLEAG: 15 a' tagradh DNA;7: PN: WO2005006958 DUILLEAG: 62 tagradh DNA;84: PN: US20040171566 DUILLEAG: 18 tagradh DNA;92:
PN: US20040005707 DUILLEAG: 20 tagradh DNA;9: PN: WO2005007825 DUILLEAG: 62 tagradh DNA;N4-Benzoyl-2′ -O-methoxyethyl-5-O- dimethoxytrityl-5-methylcytidine-3′ -phosphoramidite;N4-Benzoyl-2′ -O-methoxyethyl-5′-O-dimethoxytrityl-5-methylcytidine-3′ - amidite
Spectra ri fhaighinn
13 C NMR
Hetero NMR
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Structar Co-cheangailte
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 171 | pH 1;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1250 | pH 2;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 47600 | pH 3;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 6.44 x 105 | pH 4;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.00 x 106 | pH 5;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.00 x 106 | pH 6;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.00 x 106 | pH 7;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 7.79 x 105 | pH 8;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.63 x 105 | pH 9;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 30800 | 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)
| Seilbh | Luach | Staid | Stòr |
| Còc | 106 | pH 1;Teòthachd: 25 °C | (1) ACD |
| Còc | 773 | pH 2;Teòthachd: 25 °C | (1) ACD |
| Còc | 29500 | pH 3;Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Còc | 3.99 x 105 | pH 4;Teòthachd: 25 °C | (1) ACD |
| Còc | 8.02 x 105 | pH 5;Teòthachd: 25 °C | (1) ACD |
| Còc | 8.70 x 105 | pH 6;Teòthachd: 25 °C | (1) ACD |
| Còc | 8.16 x 105 | pH 7;Teòthachd: 25 °C | (1) ACD |
| Còc | 4.83 x 105 | pH 8;Teòthachd: 25 °C | (1) ACD |
| Còc | 1.01 x 105 | pH 9;Teòthachd: 25 °C | (1) ACD |
| Còc | 19100 | pH 10;Teòthachd: 25 °C | (1) ACD |
| logD | 4.48 | pH 1;Teòthachd: 25 °C | (1) ACD |
| logD | 5.34 | pH 2;Teòthachd: 25 °C | (1) ACD |
| logD | 6.92 | pH 3;Teòthachd: 25 °C | (1) ACD |
| logD | 8.06 | pH 4;Teòthachd: 25 °C | (1) ACD |
| logD | 8.36 | pH 5;Teòthachd: 25 °C | (1) ACD |
| logD | 8.39 | pH 6;Teòthachd: 25 °C | (1) ACD |
| logD | 8.37 | pH 7;Teòthachd: 25 °C | (1) ACD |
| logD | 8.14 | pH 8;Teòthachd: 25 °C | (1) ACD |
| logD | 7.46 | pH 9;Teòthachd: 25 °C | (1) ACD |
| logD | 6.73 | pH 10;Teòthachd: 25 °C | (1) ACD |
| logP | 8.401±0.723 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 1.4 x 10-4 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.1 g/l | pH 1;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.16 g/L | pH 2;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.1 x 10-3 g/L | pH 3;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.0 x 10-4 g/L | pH 4;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.5 x 10-4 g/L | pH 5;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.4 x 10-4 g/L | pH 6;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.5 x 10-4 g/L | pH 7;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.5 x 10-4 g/L | pH 8;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.2 x 10-3 g/L | pH 9;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 6.3 x 10-3 g/L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.5 x 10-4 g/L | Uisge gun bhacadh pH 6.97;Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 1.5 x 10-7 mol / l | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.2 x 10-3 mol/L | pH 1;Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 2;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.4 x 10-6 mol/L | pH 3;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.2 x 10-7 mol/L | pH 4;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.6 x 10-7 mol/L | pH 5;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.5 x 10-7 mol / l | pH 6;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.6 x 10-7 mol/L | pH 7;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.7 x 10-7 mol/L | pH 8;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-6 mol/L | pH 9;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.8 x 10-6 mol/L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.6 x 10-7 mol/L | Uisge gun bhacadh pH 6.97;Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 922.01 | ||
| pKa | 8.59±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)
| Seilbh | Luach | Staid | Stòr |
| Bannan Rotatable an-asgaidh | 22 | (1) ACD | |
| H Luchd-gabhail | 15 | (1) ACD | |
| H Luchd-tabhartais | 1 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 16 | (1) ACD | |
| logP | 8.401±0.723 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 922.01 |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Stòr suidheachadh |
| Raon uachdar Polar | 176 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
1 H NMR
13 C NMR
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