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
![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl] -2′- O-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C21H21N3O6 Thymidine, α – [(1-naphthalenylmethyl)amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano-300x300.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)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
![C53H66N7O8PSi CAS NO .: 104992-55-4 Adenosine, N-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ - O- [(1,1-dimethylethyl) dimethylsilyl] -, 3 ′ - [2-cyanoethyl N, N-bis(1- methylethyl)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)