![118 RE36H44N2O8SI URIDINE, 5′-O- [BIS (4-methoxyfenyl) fenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl]-(9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![118 RE36H44N2O8SI URIDINE, 5′-O- [BIS (4-methoxyfenyl) fenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl]-(9ci, aci) bevatte beeld](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine.jpg)
118 RE36H44N2O8SI URIDINE, 5′-O- [BIS (4-methoxyfenyl) fenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl]-(9CI, ACI)
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 660.83 | - |
| Dichtheid (voorspeld) | 1,24 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (voorspeld) | 9,39 ± 0,10 | Meest zure temperatuur: 25 ° C |
Canonical SMILES O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O)C2O[Si](C)(C)C(C)(C)C
Isomere glimlach
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC= C5
Inchi
Inchi = 1S/C36H44N2O8SI/C1-35 (2,3) 47 (6,7) 46-32-31 (40) 29 (45-33 (32) 38-22-21-30 (39) 37-34 (38) 41) 23-44-36 (24-11-9-9-9-9-8-12-20-20-20-20-20-20 17-27 (42-4) 18-14-25) 26-15-19-28 (43-5) 20-16-26/H8-22,29,31-33,40H, 23H2,1-7H3, (H, 37,39,41)/T29-, 31-, 32-, 33-/M1/S1
Inchi sleutel
Kvhqielphwjpsy-wxqjyutrsa-n
2 andere namen voor deze stof
5′-O- [bis (4-methoxyfenyl) fenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] uridine (ACI); 2′-o-tert-butyldimethylsilyl-5′-O- (4,4′-dimethoxytrityl) uridine
Spectra beschikbaar
1H NMR
13c NMR
Hetero NMR
Massa
| Eigenschappen beschikbaar |
| Biologisch |
| Chemisch |
| Dikte |
| Lipinski |
| Structuur gerelateerd |
Biologisch
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 2.21 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 2.21 x 105 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 2.21 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 2.21 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 2.21 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 2.21 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 2.20 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 2.12 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.54 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 42500 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Chemisch
| Eigendom | Waarde | Voorwaarde | Bron |
| KOC | 2.33 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
| KOC | 2.33 x 105 | pH 2; Temp: 25 ° C | (1) ACD |
| KOC | 2.33 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| KOC | 2.33 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| KOC | 2.33 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| KOC | 2.33 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| KOC | 2.32 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| KOC | 2.23 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| KOC | 1.62 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| KOC | 44800 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | pH 2; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 7.33 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 7.32 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 7.18 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 6.62 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 7.334 ± 0,643 | Temp: 25 ° C | (1) ACD |
| Massale intrinsieke oplosbaarheid | 3.5 x 10-5 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.5 x 10-5 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.5 x 10-5 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.5 x 10-5 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.5 x 10-5 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.5 x 10-5 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.5 x 10-5 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.5 x 10-5 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.6 x 10-5 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 5,0 x 10-5 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.9 x 10-4 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.5 x 10-5 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molaire intrinsieke oplosbaarheid | 5.3 x 10-8 mol/l | Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5.3 x 10-8 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5.3 x 10-8 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5.3 x 10-8 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5.3 x 10-8 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Molaire oplosbaarheid | 5.3 x 10-8 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5.3 x 10-8 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5.3 x 10-8 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5,5 x 10-8 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 7.6 x 10-8 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 2,8 x 10-7 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 5.3 x 10-8 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 660.83 | ||
| pka | 9,39 ± 0,10 | Meest zure temperatuur: 25 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Dikte
| Eigendom | Waarde | Voorwaarde | Bron |
| Dikte | 1,24 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molair volume | 528,8 ± 5,0 cm3/mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eigendom | Waarde | Voorwaarde | Bron |
| Vrij roteerbare bindingen | 13 | (1) ACD | |
| H ACCEPTORS | 10 | (1) ACD | |
| H Donoren | 2 | (1) ACD | |
| H Donor/Acceptor -som | 12 | (1) ACD | |
| logp | 7.334 ± 0,643 | Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 660.83 |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Structuur gerelateerd
| Eigendom | Waarde | Voorwaarde | Bron |
| Pooloppervlak | 116 A2 | (1) ACD | |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Spectra beschikbaar
1H NMR
13c NMR
![C39H37N5O7 adenosine, N-benzoyl-5′-O- [bis (4-methoxyfenyl) fenylmethyl] -2′- O-methyl- (9ci, aci)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
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