![C41H49FN5O8P Cytidine, N-acetyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ - deoxy-2 ′ -fluoro-, 3 ′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H49FN5O8P Cytidine, N-acetyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ - deoxy-2 ′ -fluoro-, 3 ′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI) Ìomhaigh sònraichte](https://www.csnvchem.com/uploads/C41H49FN5O8P-Cytidine.png)
C41H49FN5O8P Cytidine, N-acetyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ - deoxy-2 ′ -fluoro-, 3 ′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI)
Àireamh Clàraidh CAS
159414-99-0
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 789.83 | - |
| pKa (Air a ro-innse) | 10.11±0.20 | Teòthachd as searbhach: 25 °C |
SMILES Canonical
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(= NC5=O)NC(=O)C)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](F)[C@@ H](O1)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/C41H49FN5O8P/c1-27(2)47(28(3)4)56(53-25-11-23-43)55-38-35(54-39(37(38)42)46-24- 22-36(44-29(5)48)45-40(46)49)26-52- 41(30-12-9-8-10-13-30,31-14-18-33(50-6)19-15-31)32-16-20-34(51 -7)21-17-32/h8-10,12-22,24,27-28,35,37-39H,11,25-26H2,1-7H3,(H, 44,45,48,49)/t35-,37-,38-,39-,56?/m1/s1
Iuchrach InChI
CNFKJHKDSRXNFL-UTXREMQHSA-N
1 Ainm eile do'n t-Suim so
Citidine,N- acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl] -2′ -deoxy-2′ -fluoro-, 3′ - [2-cyanoethyl bis (1-methylethyl) phosphor amidite] (9CI)
Spectra ri fhaighinn
Aifreann
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Structar Co-cheangailte
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 8.60 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 90.3 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 3940 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 39100 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 64300 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 68100 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 68300 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 66800 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 54300 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 19200 | 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 | 12.6 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 133 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 5790 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 57400 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 94500 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.00 x 105 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.00 x 105 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Còc | 98200 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 79700 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 28200 | pH 10; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| logD | 2.76 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 3.79 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 5.43 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 6.42 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 6.64 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 6.66 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 6.66 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 6.65 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 6.56 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 6.11 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 6.666±0.764 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 4.5 x 10-5 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.36 g / l | pH 1; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.035 g / L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 7.90 x 10-4 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 7.9 x 10-5 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.8 x 10-5 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.6 x 10-5 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.6 x 10-5 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.7 x 10-5 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.7 x 10-5 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.6 x 10-4 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.6 x 10-5 g/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 5.7 x 10-8 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.6 x 10-4 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.4 x 10-5 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.00 x 10-6 mol / l | pH 3; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.0 x 10-7 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.1 x 10-8 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.8 x 10-8 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.8 x 10-8 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.9 x 10-8 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 7.2 x 10-8 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.0 x 10-7 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.8 x 10-8 mol/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 789.83 | ||
| pKa | 10.11±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)
| Seilbh | Luach | Stòr suidheachadh |
| Raon uachdar polar | 158 A2 | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
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