![C39H46FN4O8P Uridine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -deoxy-2′ - fluoro-, 3′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI )](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H46FN4O8P Uridine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -deoxy-2′ - fluoro-, 3′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI ) Ìomhaigh sònraichte](https://www.csnvchem.com/uploads/C39H46FN4O8P-Uridine.png)
C39H46FN4O8P Uridine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -deoxy-2′ - fluoro-, 3′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI )
Àireamh Clàraidh CAS
146954-75-8
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 748.78 | - |
| pKa (Air a ro-innse) | 9.39±0.10 | 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(= O) NC5=O)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)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC =C5
InChI
InChI = 1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43- 23-21-34(45)42-38(43)46)25-49-39(28-11-8-7-9-12-28,29-13-17-31(47-5)18- 14-29)30-15-19-32(48-6)20-16-30/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1- 6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1
Iuchrach InChI
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Ainm eile do'n t-Suim so
Uridín, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl] -2′ -deoxy-2′ -fluoro-, 3′ - [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI)
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Structar Co-cheangailte
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 457 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 3690 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 27700 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 82900 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.04 x 105 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.06 x 105 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.06 x 105 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.02 x 105 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 76200 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 22000 | 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)
| Stòr Suidheachadh Luach Seilbh |
| Koc 592 pH 1; Teòthachd: 25 °C (1) ACD |
| Koc 4790 pH 2; Teòthachd: 25 °C (1) ACD |
| Koc 36000 pH 3; Teòthachd: 25 °C (1) ACD |
| Koc 1.07 x 105 pH 4; Teòthachd: 25 °C (1) ACD |
| Meud 1.34 x 105 pH 5; Teòthachd: 25 °C (1) ACD |
| Koc 1.38 x 105 pH 6; Teòthachd: 25 °C (1) ACD |
| Koc 1.37 x 105 pH 7; Teòthachd: 25 °C (1) ACD |
| Koc 1.33 x 105 pH 8; Teòthachd: 25 °C (1) ACD |
| Koc 98800 pH 9; Teòthachd: 25 °C (1) ACD |
| Koc 28600 pH 10; Teòthachd: 25 °C (1) ACD |
| logD 4,55 pH 1; Teòthachd: 25 °C (1) ACD |
| logD 5,46 pH 2; Teòthachd: 25 °C (1) ACD |
| logD 6.33 pH 3; Teòthachd: 25 °C (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| logD | 6.81 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 6.91 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 6.92 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 6.92 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 6.90 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 6.77 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 6.23 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 6.918±0.641 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 2.2 x 10-5 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.1 x 10-3 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 6.3 x 10-4 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 8.2 x 10-5 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.8 x 10-5 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.2 x 10-5 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.2 x 10-5 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.2 x 10-5 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.2 x 10-5 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.0 x 10-5 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.0 x 10-4 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.2 x 10-5 g/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 2.9 x 10-8 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 6.8 x 10-6 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 8.4 x 10-7 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-7 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.7 x 10-8 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.0 x 10-8 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-8 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-8 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.0 x 10-8 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.0 x 10-8 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-7 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-8 mol/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Cuideam Molecular | 748.78 | ||
| pKa | 9.39±0.10 | Teòthachd as searbhach: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | 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 | 17 | (1) ACD | |
| H Luchd-gabhail | 12 | (1) ACD | |
| H Luchd-tabhartais | 1 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 13 | (1) ACD | |
| logP | 6.918±0.641 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 748.78 |
(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 | 145 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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