![C45H56N7O9P Guanosine, 5 ′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl) -, 3′ - [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C45H56N7O9P Guanosine, 5 ′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl) -, 3′ - [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI) Ìomhaigh sònraichte](https://www.csnvchem.com/uploads/C45H56N7O9P.png)
C45H56N7O9P Guanosine, 5 ′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl) -, 3′ - [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)
Àireamh Clàraidh CAS
150780-67-9
H303
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 869.94 | - |
| pKa (Air a ro-innse) | 9.16±0.20 | Teòthachd as searbhach: 25 °C |
N#CCCOP(OC1C(OC(N2C=NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C6)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](OC)[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/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9) 38(61-62(59-25-13-24-
46) 52(29(3)4)30(5)6)36(60-43)26-58-45(31-14-11-10-12-15-31,32-16-20-34( 55-7) 21-17-32) 33-18-22-35 (56-8) 23-19-33 / h10-12,14-23,27 -30,36,38-39,43H,13, 25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/m1/s1
Iuchrach InChI
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 Ainm eile do'n t-Suim so
Guanoine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-N-(2-methyl-1-oxopropyl) -, 3 ′ - [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI)
Spectra ri fhaighinn
13 C NMR
Hetero NMR
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Structar Co-cheangailte
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 183 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 3890 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 35500 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.08 x 105 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.36 x 105 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.39 x 105 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.38 x 105 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 1.24 x 105 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 63600 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 11900 | 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 | 220 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 4680 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 42600 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.30 x 105 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.63 x 105 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.67 x 105 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.65 x 105 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Còc | 1.49 x 105 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Còc | 76400 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 14200 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 4.19 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 5.52 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 6.48 | pH 3; Teòthachd: 25 °C | (1) ACD |
| logD | 6.96 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 7.06 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 7.07 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 7.07 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 7.02 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 6.73 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 6.00 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 7.072±0.721 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 1.2 x 10-4 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 0.096 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.3 x 10-3 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 4.8 x 10-4 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.6 x 10-4 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.2 x 10-4 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.2 x 10-4 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.2 x 10-4 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.4 x 10-4 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.7 x 10-4 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.4 x 10-3 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.2 x 10-4 g/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 1.4 x 10-7 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-4 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.0 x 10-6 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 5.5 x 10-7 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.8 x 10-7 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-7 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-7 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Solubility Molar | 1.4 x 10-7 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.6 x 10-7 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 3.1 x 10-7 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.6 x 10-6 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-7 mol/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 869.94 | ||
| 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 | Staid | Stòr |
| Bannan Rotatable an-asgaidh | 19 | (1) ACD | |
| H Luchd-gabhail | 16 | (1) ACD | |
| H Luchd-tabhartais | 2 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 18 | (1) ACD | |
| logP | 7.072±0.721 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 869.94 |
(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 | 194 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
1 H NMR
13 C NMR
| Còd | Aithris Cunnart | Stòr |
| H303 | Faodaidh e a bhith cronail ma thèid a shlugadh | Eòlaiche air a ghlèidheadh |
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