C42H39N3O8 Gun a bhith air a shònrachadh fhathast
| Prìomh fheartan corporra | Luach | Staid |
| Cuideam Molecular | 713.78 | - |
| Dùmhlachd (Ro-innse) | 1.315 ± 0.06 g / cm3 | Teòthachd: 20 ° C;Brùth: 760 Torr |
| pKa (Air a ro-innse) | 8.23±0.10 | Teòthachd as searbhach: 25 °C |
Canonical SMILES O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(COC(C=5C=CC=CC=CC5)(C6=CC=C(OC) )C=C6)C7=CC=C(OC)C=C7)C(O)C4
SMILES Isomeric
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC=3C4=C(C=CC3)C=CC=C4)=O)C (=O)NC2=O)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C 7=CC=CC=C7
InChI
InChI=1S/C42H39N3O8/c1-50-32-19-15-30(16-20-32)42(29-12-4-3-5-13-29,31-17-21-33(51- 2) 22-18-31)52-26-37-36(46)23-38(53-37)4 5-25-35(40(48)44-41(45)49)39(47)43 -24-28-11-8-10-27-9-6-7-14-34(27)28/h3-22,25,36-38,46H,23-24,26H2,1-2H3,( H,43,47) (H,44,48,49)/t36-,37+,38+/m0/s1
Iuchrach InChI
HDUMRQQRYJOBFS-YXWIYCFASA-N
| Togalaichean rim faighinn |
| Bith-eòlasach |
| Togalaichean rim faighinn |
| Ceimigeach |
| Dùmhlachd |
| Lipinski |
| Structar Co-cheangailte |
Bith-eòlasach
| Seilbh | Luach | Staid | Stòr |
| Factar bith-chruinneachaidh | 41700 | pH 1;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 41700 | pH 2;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 41700 | pH 3;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 41700 | pH 4;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 41700 | pH 5;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 41200 | pH 6;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 36900 | pH 7;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 18100 | pH 8;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 3290 | pH 9;Teòthachd: 25 °C | (1) ACD |
| Factar bith-chruinneachaidh | 718 | 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 | 70600 | pH 1;Teòthachd: 25 °C | (1) ACD |
| Còc | 70600 | pH 2;Teòthachd: 25 °C | (1) ACD |
| Còc | 70600 | pH 3;Teòthachd: 25 °C | (1) ACD |
| Còc | 70600 | pH 4;Teòthachd: 25 °C | (1) ACD |
| Còc | 70500 | pH 5;Teòthachd: 25 °C | (1) ACD |
| Còc | 69700 | pH 6;Teòthachd: 25 °C | (1) ACD |
| Còc | 62400 | pH 7;Teòthachd: 25 °C | (1) ACD |
| Còc | 30600 | pH 8;Teòthachd: 25 °C | (1) ACD |
| Còc | 5560 | pH 9;Teòthachd: 25 °C | (1) ACD |
| Còc | 1210 | pH 10;Teòthachd: 25 °C | (1) ACD |
| logD | 6.38 | pH 1;Teòthachd: 25 °C | (1) ACD |
| logD | 6.38 | pH 2;Teòthachd: 25 °C | (1) ACD |
| logD | 6.38 | pH 3;Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| logD | 6.38 | pH 4;Teòthachd: 25 °C | (1) ACD |
| logD | 6.38 | pH 5;Teòthachd: 25 °C | (1) ACD |
| logD | 6.38 | pH 6;Teòthachd: 25 °C | (1) ACD |
| logD | 6.33 | pH 7;Teòthachd: 25 °C | (1) ACD |
| logD | 6.02 | pH 8;Teòthachd: 25 °C | (1) ACD |
| logD | 5.28 | pH 9;Teòthachd: 25 °C | (1) ACD |
| logD | 4.62 | pH 10;Teòthachd: 25 °C | (1) ACD |
| logP | 6.382±0.644 | Teòthachd: 25 °C | (1) ACD |
| Mòr-fhuasgladh gnèitheach | 5.1 x 10-7 g/L | Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.1 x 10-7 g/L | pH 1;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.1 x 10-7 g/L | pH 2;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.1 x 10-7 g/L | pH 3;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.1 x 10-7 g/L | pH 4;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.1 x 10-7 g/L | pH 5;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.1 x 10-7 g/L | pH 6;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.7 x 10-7 g/L | pH 7;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 1.1 x 10-6 g/L | pH 8;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 6.4 x 10-6 g/L | pH 9;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 2.9 x 10-5 g/L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Fuasgladh mòr | 5.7 x 10-7 g/L | Uisge gun bhuain pH 7.00;Teòthachd: 25 °C | (1) ACD |
| Molar Solubility Intrinsic | 7.1 x 10-10 mol/L | Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol/L | pH 1;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol/L | pH 2;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol/L | pH 3;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol/L | pH 4;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol/L | pH 5;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 7.2 x 10-10 mol/L | pH 6;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 8.0 x 10-10 mol / l | pH 7;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 1.6 x 10-9 mol/L | pH 8;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 9.0 x 10-9 mol/L | pH 9;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 4.1 x 10-8 mol/L | pH 10;Teòthachd: 25 °C | (1) ACD |
| Solubility Molar | 8.0 x 10-10 mol / l | Uisge gun bhuain pH 7.00;Teòthachd: 25 °C | (1) ACD |
| Seilbh | Luach | Staid | Stòr |
| Cuideam Molecular | 713.78 | ||
| pKa | 8.23±0.10 | Teòthachd as searbhach: 25 °C | (1) ACD |
| pKa | -1.90±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 | 1.315 ± 0.06 g / cm3 | Teòthachd: 20 ° C;Brùth: 760 Torr | (1) ACD |
| Meud Molar | 542.7 ± 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 | 6.382±0.644 | Teòthachd: 25 °C | (1) ACD |
| Cuideam Molecular | 713.78 |
(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
![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl] -2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine-300x300.jpg)
![C21H21N3O6 Thymidine, α – [(1-naphthalenylmethyl)amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C50H58N7O9P Adenosine, N-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ - O- (2-methoxyethyl) -, 3 ′ - [2-cyanoethyl N, N-bis (1-methylethyl) ) phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl] -2′- O-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C30H30N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine-300x300.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-aon, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)