![C33H35N3O8 Cytidine, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C33H35N3O8 Cytidine, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- methyl- (9CI, ACI)
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 601.65 | - |
| Dùmhlachd (Ro-innse) | 1.28 ± 0.1 g / cm3 | Teòthachd: 20 ° C; Brùth: 760 Torr |
| pKa (Air a ro-innse) | 10.19±0.20 | Teòthachd as searbhach: 25 °C |
Canonical SMILES O=C1N=C(C=CN1C2OC(COC(C=3C=CC=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O )C2OC)NC(=O)C
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)N2C(=O)N=C(NC(C)=O)C =C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C33H35N3O8/c1-21(37)34-28-18-19-36(32(39)35-28)31-30(42-4)29(38)27(44-31)20- 43-33(22-8-6-5-7-9-22,23-10-14-25(40-2) 15-11-23)24-12-16-26(41-3)17- 13-24/h5-19,27,29-31,38H,20H2,1-4H3,(H,34,35,37,39)/t27-,29-,30-,31-/m1/s1
Iuchrach InChI
FINUHOJILDNELQ-PMFUCWTESA-N
1 Ainm eile do'n t-Suim so
N-Acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methylcytidine (ACI)
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar Co-cheangailte |
Bith-eòlasach
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 8.87 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 27.8 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 171 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 515 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 650 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 668 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 668 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 657 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 560 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 229 | 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 | 48.6 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 152 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 935 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 2820 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 3560 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 3660 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 3660 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Còc | 3600 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 3070 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 1250 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 2.14 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 2.64 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| logD | 3.43 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 3.91 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 4.01 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 4.02 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 4.02 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 4.01 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 3.94 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 3.55 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 4.021±0.768 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 1.3 x 10-3 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.10 g/l | pH 1; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.032 g / L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.2 x 10-3 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.7 x 10-3 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.4 x 10-3 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.3 x 10-3 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.3 x 10-3 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.3 x 10-3 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.6 x 10-3 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.9 x 10-3 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.3 x 10-3 g/L | Uisge gun bhacadh pH 6.99; Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 2.2 x 10-6 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.3 x 10-5 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 8.6 x 10-6 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-6 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-6 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.2 x 10-6 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.2 x 10-6 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.2 x 10-6 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.6 x 10-6 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.4 x 10-6 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 2.2 x 10-6 mol/L | Uisge gun bhacadh pH 6.99; Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 601.65 | ||
| pKa | 10.19±0.20 | Teòthachd as searbhach: 25 °C | (1) ACD |
| pKa | 3.57±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 | 1.28 ± 0.1 g / cm3 | Teòthachd: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Meud Molar | 466.5 ± 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 | 11 | (1) ACD | |
| H Luchd-gabhail | 11 | (1) ACD | |
| H Luchd-tabhartais | 2 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 13 | (1) ACD | |
| logP | 4.021±0.768 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 601.65 |
(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 | 128 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
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