C38H37N3O8 Gun a bhith air a shònrachadh fhathast
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 663.72 | - |
| Dùmhlachd (Ro-innse) | 1.304 ± 0.06 g / cm3 | Teòthachd: 20 ° C; Brùth: 760 Torr |
| pKa (Air a ro-innse) | 8.27±0.10 | Teòthachd as searbhach: 25 °C |
Canonical SMILES O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5 )C6=CC=C(OC)C=C6)C(O)C3
SMILES Isomeric
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC3=CC=CC=C3)=O)C(=O)NC2=O) (C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI=1S/C38H37N3O8/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47- 2) 20-16-28)48-24-33-32(42)21-34(49-33)4 1-23-31(36(44)40-37(41)45)35(43)39 -22-25-9-5-3-6-10-25 / h3-20,23,32-34,42H,21-22,24H2,1-2H3,(H,39,43)(H,40 ,44,45)/t32-
,33+,34+/m0/s1
Iuchrach InChI
NZBGRVLZISPURB-LBFZIJHGSA-N
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Togalaichean rim faighinn |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar Co-cheangailte |
Bith-eòlasach
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 5250 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 5250 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 5260 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 5260 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 5250 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 5200 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 4720 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 2460 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 466 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 96.9 | 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)
Ceimigeach
| Seilbh | Luach | Staid | Stòr |
| Còc | 16000 | pH 1; Teòthachd: 25 °C | (1) ACD |
| Còc | 16000 | pH 2; Teòthachd: 25 °C | (1) ACD |
| Còc | 16000 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Còc | 16000 | pH 4; Teòthachd: 25 °C | (1) ACD |
| Còc | 16000 | pH 5; Teòthachd: 25 °C | (1) ACD |
| Còc | 15800 | pH 6; Teòthachd: 25 °C | (1) ACD |
| Còc | 14400 | pH 7; Teòthachd: 25 °C | (1) ACD |
| Còc | 7510 | pH 8; Teòthachd: 25 °C | (1) ACD |
| Còc | 1420 | pH 9; Teòthachd: 25 °C | (1) ACD |
| Còc | 296 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logD | 5.20 | pH 1; Teòthachd: 25 °C | (1) ACD |
| logD | 5.20 | pH 2; Teòthachd: 25 °C | (1) ACD |
| logD | 5.20 | pH 3; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| logD | 5.20 | pH 4; Teòthachd: 25 °C | (1) ACD |
| logD | 5.20 | pH 5; Teòthachd: 25 °C | (1) ACD |
| logD | 5.19 | pH 6; Teòthachd: 25 °C | (1) ACD |
| logD | 5.15 | pH 7; Teòthachd: 25 °C | (1) ACD |
| logD | 4.87 | pH 8; Teòthachd: 25 °C | (1) ACD |
| logD | 4.15 | pH 9; Teòthachd: 25 °C | (1) ACD |
| logD | 3.46 | pH 10; Teòthachd: 25 °C | (1) ACD |
| logP | 5.198±0.644 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 9.3 x 10-6 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.3 x 10-6 g/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.3 x 10-6 g/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.3 x 10-6 g/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.3 x 10-6 g/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.3 x 10-6 g/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 9.3 x 10-6 g/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.1 x 10-5 g/L | pH 7; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.0 x 10-5 g/L | pH 8; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.1 x 10-4 g/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.1 x 10-4 g/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.1 x 10-5 g/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 1.4 x 10-8 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-8 mol/L | pH 1; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-8 mol/L | pH 2; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-8 mol/L | pH 3; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-8 mol/L | pH 4; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-8 mol/L | pH 5; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-8 mol/L | pH 6; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.6 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 | 1.6 x 10-7 mol/L | pH 9; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 7.7 x 10-7 mol/L | pH 10; Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.6 x 10-8 mol/L | Uisge gun bhuain pH 7.00; Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Cuideam Molecular | 663.72 | ||
| pKa | 8.27±0.10 | Teòthachd as searbhach: 25 °C | (1) ACD |
| pKa | -1.66±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)
Dùmhlachd
| Seilbh | Luach | Staid | Stòr |
| Dùmhlachd | 1.304 ± 0.06 g / cm3 | Teòthachd: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Meud Molar | 508.6 ± 3.0 cm3 / mol | Teòthachd: 20 ° C; Brùth: 760 Torr | (1) ACD |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Seilbh | Luach | Staid | Stòr |
| Bannan Rotatable an-asgaidh | 13 | (1) ACD | |
| H Luchd-gabhail | 11 | (1) ACD | |
| H Luchd-tabhartais | 3 | (1) ACD | |
| H Suim Tabhartais/Glacadair | 14 | (1) ACD | |
| logP | 5.198±0.644 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 663.72 |
(1) Air obrachadh a-mach a’ cleachdadh Bathar-bog Leasachadh Ceimigeachd Adhartach (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Structar Co-cheangailte
| Seilbh | Luach | Staid | Stòr |
| Raon uachdar Polar | 136 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
1H NMR
13C NMR
![C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl] -2′- O-(2-methoxyethyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine-300x300.jpg)
![C39H46FN4O8P Uridine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -deoxy-2′ - fluoro-, 3′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI )](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine-300x300.png)
![C40H49N4O9P Uridine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-methyl-, 3′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine-300x300.png)
![118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl] -2′-O-[(1,1- dimethylethyl)dimethylsilyl] - (9CI, ACI)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine-300x300.jpg)
![C36H39N5O8 Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- N-(2-methyl-1-oxopropyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine-300x300.jpg)