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 Thogalaichean Fiosaigeach | Luach | Suidheachadh |
| Cuideam Moileciuil | 869.94 | - |
| pKa (Ro-innse) | 9.16±0.20 | Teòthachd as searbhaiche: 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
Gàire Isomeric
C(OC[C@@H]1[C@@H](OP(N(C(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(519-25-25)
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/u10-12,14-23,27 -30,36,38-39,43U,13,25-26U2,1-9U3,(U2,48,49,50,53,54)/t36-,38-,39-,43-,62?/m1/s1
Iuchair InChI
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 Ainm eile airson an stuth seo
Guanosine, 5′ -O- [bis(4-methocsaiphenyl)phenylmethyl]-2′ -O-methyl-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl bis(1-methylethyl) phosphoramidine] (9CI)
Speactra ri fhaighinn
13C NMR
NMR Hetero
Togalaichean a tha rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Co-cheangailte ri Structar
| Seilbh | Luach | Suidheachadh | 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 le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Suidheachadh | 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 | Suidheachadh | 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 |
| So-sgaoilteachd Intrinsic Tomad | 1.2 x 10-4 g/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 0.096 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 4.3 x 10-3 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 4.8 x 10-4 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.6 x 10-4 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.2 x 10-4 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.2 x 10-4 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.2 x 10-4 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.4 x 10-4 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 2.7 x 10-4 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.4 x 10-3 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd mais | 1.2 x 10-4 g/L | Uisge gun bhùfradh pH 7.00; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Intrinsic Molar | 1.4 x 10-7 mol/L | Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.1 x 10-4 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 5.0 x 10-6 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 5.5 x 10-7 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.8 x 10-7 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.4 x 10-7 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.4 x 10-7 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| So-sgaoilteachd Mhòlar | 1.4 x 10-7 mol/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.6 x 10-7 mol/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 3.1 x 10-7 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.6 x 10-6 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| So-sgaoilteachd Mhòlar | 1.4 x 10-7 mol/L | Uisge gun bhùfradh pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 869.94 | ||
| pKa | 9.16±0.20 | Teòthachd as searbhaiche: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Teòthachd as Bunasaiche: 25 °C | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Suidheachadh | Stòr |
| Ceanglaichean a ghabhas rothladh gu saor | 19 | (1) ACD | |
| Gabhadairean H | 16 | (1) ACD | |
| Luchd-tabhartais H | 2 | (1) ACD | |
| Suim Tabhartaiche/Gabhadair H | 18 | (1) ACD | |
| logP | 7.072±0.721 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Moileciuil | 869.94 |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Seilbh | Luach | Stòr an t-suidheachaidh |
| Raon Uachdar Pòlach | 194 A2 | (1) ACD |
(1) Air obrachadh a-mach le bhith a’ cleachdadh bathar-bog Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Speactra ri fhaighinn
1H NMR
13C NMR
| Còd | Aithris Cunnart | Stòr |
| H303 | Dh’fhaodadh e bhith cronail ma shluigear e | Air a thaghadh le eòlaichean |
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