![C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methox yethyl)-5-methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methox yethyl)-5-methyl- (9CI, ACI) Ìomhaigh sònraichte](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methox yethyl)-5-methyl- (9CI, ACI)
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 617.69 | - |
| puing ghoil (ri dùil) | 762.6±70.0 °C | Brùth: 760 Torr |
| Dùmhlachd (Ro-innse) | 1.27 ± 0.1 g / cm3 | Teòthachd: 20 ° C; Brùth: 760 Torr |
| pKa (Air a ro-innse) | 13.31±0.70 | Teòthachd as searbhach: 25 °C |
Canonical SMILES O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5) C(O)C2OCCOC)C
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2 )(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19-18-40-2)29(38)28(45-32) 21-44-34(23-8-6-5-7-9-23,24-10-14-26(4 1-3)15-11-24)25-12-16-27(42-4) )17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1-4H3,(H2,35,36,39)/t28-,29-,30-, 32-/m1/s1
Iuchrach InChI
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Ainmean Eile air son an Fhois so
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 11: PN: US20030170636 DUILLEAG: 17 tagradh RNA; 12: PN: US20030211606 DUILLEAG: 18 tagradh R NA; 12: PN: US20030212017 DUILLEAG: 19 tagradh R NA; 14: PN: US20040005569 PAG E: 21 tagradh R NA; 15: PN: US20040005565 DUILLEAG: 17- 22 tagradh RNA; 15: PN: US20040005570 DUILLEAG: 19 tagradh R NA; 15: PN: U S20040006030 DUILLEAG: 22 tagradh R NA; 15: PN: US20040014048 DUILLEAG: 19 tagradh R NA; 16: PN: US20030171313 DUILLEAG: 9 tagradh RNA; 16: PN: US20030198965 DUILLEAG: 19 tagradh R NA; 16: PN: US20040014047 DUILLEAG: 19 tagradh R NA; 16: PN: US20040014049 DUILLEAG:
19 tagradh RNA; 17: PN: US20040014051 DUILLEAG: 21 tagradh R NA; 17: PN: US20040014699 DUILLEAG: 19 tagradh R NA; 17: PN: W
O03106645 DUILLEAG: 69 tagradh R NA; 18: PN: US20040006029 DUILLEAG: 22 tagradh R NA; 2 ′-O-Methoxyethyl-5′-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 DUILLEAG: 15 tagradh R NA; 5: PN: WO2005006958 DUILLEAG: 61 tagradh R NA; 7: PN: WO20050 07825 DUILLEAG: 61 tagradh R NA; 82: PN: US20040171566 DUILLEAG: 18 tagradh R NA; 89: PN: US20040005707 DUILLEAG: 19 tagradh R NA; 9: PN: WO03084478 DUILLEAG: 56 tagradh R NA
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar Co-cheangailte |
| Teirmeach |
Bith-eòlasach
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 1.56 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.99 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 6.19 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 38.0 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 116 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 146 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 150 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 151 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 151 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 151 | 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 | 13.0 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 16.6 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 51.8 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 318 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 966 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 1220 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 1260 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Còc | 1260 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 1260 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 1260 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 1.18 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 1.29 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 1.78 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 2.57 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 3.05 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 3.16 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 3.17 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 3.17 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 3.17 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 3.17 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 3.169±0.598 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 5.2 x 10-3 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.51 g/l | pH 1; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.40 g / l | pH 2; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.13 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.020 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 6.8 x 10-3 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.4 x 10-3 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.3 x 10-3 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.2 x 10-3 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.2 x 10-3 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.2 x 10-3 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.3 x 10-3 g/L | Uisge gun bhacadh pH 7.05; Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 8.4 x 10-6 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 8.2 x 10-4 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.4 x 10-4 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.1 x 10-4 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.3 x 10-5 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-5 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 8.7 x 10-6 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 8.5 x 10-6 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 8.4 x 10-6 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 8.4 x 10-6 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 8.4 x 10-6 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 8.5 x 10-6 mol/L | Uisge gun bhacadh pH 7.05; Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 617.69 | ||
| pKa | 13.31±0.70 | Teòthachd as searbhach: 25 °C | (1) ACD |
| pKa | 4.58±0.10 | Teòthachd as bunaitiche: 25 °C | (1) ACD |
| Brùthadh vapor | 1.89 x 10-24 Torr | 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)
Dùmhlachd
| Seilbh | Luach | Staid | Stòr |
| Dùmhlachd | 1.27 ± 0.1 g / cm3 | Teòthachd: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Meud Molar | 483.8 ± 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 | 14 | (1) ACD | |
| H Luchd-gabhail | 11 | (1) ACD | |
| H Luchd-tabhartais | 3 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 14 | (1) ACD | |
| logP | 3.169±0.598 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 617.69 |
(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 | 134 A2 | (1) ACD | |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Teirmeach
| Seilbh | Luach | Staid | Stòr |
| Rubha Goil | 762.6±70.0 °C | Brùth: 760 Torr | (1) ACD |
| Enthalpy vaporization | 116.53 ± 3.0 kJ / mol | Brùth: 760 Torr | (1) ACD |
| Flash puing | 415.0±35.7 °C | (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
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