![C44H53FN7O8 Guanosine, 5 ′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ -deoxy-2′ - fluoro-N- (2-methyl-1-oxopropyl) -, 3 ′ - [2-cyanoethyl N, N-bis (1-methyl ethyl) phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H53FN7O8 Guanosine, 5 ′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ -deoxy-2′ - fluoro-N- (2-methyl-1-oxopropyl) -, 3 ′ - [2-cyanoethyl N, N-bis (1-methyl ethyl) phosphoramidite] (ACI) Ìomhaigh sònraichte](https://www.csnvchem.com/uploads/C44H53FN7O8.png)
C44H53FN7O8 Guanosine, 5 ′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ -deoxy-2′ - fluoro-N- (2-methyl-1-oxopropyl) -, 3 ′ - [2-cyanoethyl N, N-bis (1-methyl ethyl) phosphoramidite] (ACI)
Àireamh Clàraidh CAS
144089-97-4
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 857.91 | - |
| pKa (Air a ro-innse) | 9.16±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=NC=6C (=O) N=C(NC(=O)C(C)C)NC65)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)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC)C =C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI= 1S/C44H53FN7O8P/c1-27(2)40(53)49-43-48-39-37(41(54)50-43)47-26-51(39)42-36(45)38(60- 61(58-24-12-23-46)52(28(3)4)29(5) 6) 35(59-42)25-57-44(30-13-10-9-11-14-30,31-15-19-33(55-7)20-16- 31)32-17-21-34(56-8)22-18-32/h9-11,13-22,26-29,35-36,38,42H,12, 24-25H2,1-8H3,(H2,48,49,50,53,54)/t35-,36-,38-,42-,61?/m1/s1
Iuchrach InChI
KJFUMXZZVYMQEU-AOCJBPQJSA-N
1 Ainm eile do'n t-Suim so
Guanoine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl] -2′ -deoxy-2′ -fluoro-N-(2-methyl-1-oxopropyl) -, 3 ′ - [2-cyanoethyl bis (1-methyl ethyl) phosphoramidite] (9CI)
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Structar Co-cheangailte
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 298 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 6350 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 57800 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.76 x 105 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2.21 x 105 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2.26 x 105 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2.24 x 105 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2.03 x 105 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.04 x 105 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 19300 | 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 312 pH 1; Teòthachd: 25 °C (1) ACD |
| Koc 6630 pH 2; Teòthachd: 25 °C (1) ACD |
| Koc 60400 pH 3; Teòthachd: 25 °C (1) ACD |
| Meud 1.84 x 105 pH 4; Teòthachd: 25 °C (1) ACD |
| Koc 2.31 x 105 pH 5; Teòthachd: 25 °C (1) ACD |
| Koc 2.37 x 105 pH 6; Teòthachd: 25 °C (1) ACD |
| Koc 2.35 x 105 pH 7; Teòthachd: 25 °C (1) ACD |
| Koc 2.12 x 105 pH 8; Teòthachd: 25 °C (1) ACD |
| Koc 1.08 x 105 pH 9; Teòthachd: 25 °C (1) ACD |
| Koc 20200 pH 10; Teòthachd: 25 °C (1) ACD |
| logD 4.47 pH 1; Teòthachd: 25 °C (1) ACD |
| logD 5,80 pH 2; Teòthachd: 25 °C (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| logD | 6.76 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 7.24 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 7.34 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 7.35 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 7.35 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 7.30 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 7.01 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 6.28 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 7.351±0.713 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 3.0 x 10-5 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.022 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.0 x 10-3 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.2 x 10-4 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.9 x 10-5 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.1 x 10-5 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.0 x 10-5 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.0 x 10-5 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.3 x 10-5 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 6.5 x 10-5 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.5 x 10-4 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 3.0 x 10-5 g/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 3.5 x 10-8 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 2.6 x 10-5 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.2 x 10-6 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-7 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.5 x 10-8 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.6 x 10-8 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.5 x 10-8 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.5 x 10-8 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.9 x 10-8 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 7.6 x 10-8 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.1 x 10-7 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 3.5 x 10-8 mol/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 857.91 | ||
| pKa | 9.16±0.20 | 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 | Stòr suidheachadh |
| Raon uachdar polar | 184 A2 | (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 | 18 | (1) ACD | |
| H Luchd-gabhail | 15 | (1) ACD | |
| H Luchd-tabhartais | 2 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 17 | (1) ACD | |
| logP | 7.351±0.713 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 857.91 |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
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