![C39H46FN4O8P URIDINE, 5 ′ -O- [BIS (4-methoxyfenyl) fenylmethyl] -2 ′ -deoxy-2 ′-fluoro-, 3 ′-[2-cyanoethyl N, N-Bis (1-methylethyl) fosforamidiet] (Aci) (Aci) (Aci) (Aci) (Aci) (Aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H46FN4O8P uridine, 5 ′ -O- [BIS (4-methoxyfenyl) fenylmethyl] -2 ′ -deoxy-2 ′-fluoro-, 3 ′-[2-cyanoethyl N, N-Bis (1-methylethyl) fosforamidiet] (Aci) beleefd beeldbeeldbeeldbeeld.](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine.png)
C39H46FN4O8P URIDINE, 5 ′ -O- [BIS (4-methoxyfenyl) fenylmethyl] -2 ′ -deoxy-2 ′-fluoro-, 3 ′-[2-cyanoethyl N, N-Bis (1-methylethyl) fosforamidiet] (Aci) (Aci) (Aci) (Aci) (Aci) (Aci)
CAS -registernummer
146954-75-8
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 748.78 | - |
| PKA (voorspeld) | 9,39 ± 0,10 | Meest zure temperatuur: 25 ° C |
Canonieke glimlachen
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(=O)NC5=O)N(C(C)C)C(C)C
Isomere glimlach
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](F)[C@@H](O1)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/C39H46FN4O8P/C1-26 (2) 44 (27 (3) 4) 53 (50-24-10-22-41) 52-36-33 (51-37 (35 (36) 40) 43-23-21-34 (45) 42-38 (43) 46) 46) 46) 46) 25-49-39 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11 (28-11), -8-7-9-12-28,29-13-17-31 (47-5) 18-14-29) 30-15-19-32 (48-6) 20-16-7 3-, 35-, 36-, 37-, 53?/M1/S1
Inchi sleutel
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 andere naam voor deze stof
Uridine, 5 ′ -O-[bis (4-methoxyfenyl) fenylmethyl] -2 ′ -deoxy-2 ′ -fluoro-, 3 ′-[2-cyanoethyl bis (1-methylethyl) fosforamidiet] (9ci) (9CI)
Eigenschappen beschikbaar
Biologisch
Chemisch
Lipinski
Structuur gerelateerd
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 457 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 3690 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 27700 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 82900 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.04 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.06 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.06 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 1.02 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 76200 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 22000 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Bron van de eigenschapswaarde Bron |
| KOC 592 pH 1; Temp: 25 ° C (1) ACD |
| KOC 4790 pH 2; Temp: 25 ° C (1) ACD |
| KOC 36000 pH 3; Temp: 25 ° C (1) ACD |
| KOC 1.07 x 105 pH 4; Temp: 25 ° C (1) ACD |
| KOC 1,34 x 105 pH 5; Temp: 25 ° C (1) ACD |
| KOC 1,38 x 105 pH 6; Temp: 25 ° C (1) ACD |
| KOC 1,37 x 105 pH 7; Temp: 25 ° C (1) ACD |
| KOC 1,33 x 105 pH 8; Temp: 25 ° C (1) ACD |
| KOC 98800 pH 9; Temp: 25 ° C (1) ACD |
| KOC 28600 pH 10; Temp: 25 ° C (1) ACD |
| LOGD 4.55 pH 1; Temp: 25 ° C (1) ACD |
| LOGD 5.46 pH 2; Temp: 25 ° C (1) ACD |
| LOGD 6.33 pH 3; Temp: 25 ° C (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| logd | 6.81 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 6.91 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 6.92 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 6.92 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 6.90 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 6.77 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 6.23 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 6.918 ± 0,641 | Temp: 25 ° C | (1) ACD |
| Massale intrinsieke oplosbaarheid | 2.2 x 10-5 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 5.1 x 10-3 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 6.3 x 10-4 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 8.2 x 10-5 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 2,8 x 10-5 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 2.2 x 10-5 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 2.2 x 10-5 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 2.2 x 10-5 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 2.2 x 10-5 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 3.0 x 10-5 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1,0 x 10-4 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 2.2 x 10-5 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molaire intrinsieke oplosbaarheid | 2,9 x 10-8 mol/l | Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 6,8 x 10-6 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 8,4 x 10-7 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.1 x 10-7 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.7 x 10-8 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.0 x 10-8 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 2,9 x 10-8 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 2,9 x 10-8 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 3.0 x 10-8 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 4,0 x 10-8 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,4 x 10-7 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 2,9 x 10-8 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Molecuulgewicht | 748.78 | ||
| pka | 9,39 ± 0,10 | Meest zure temperatuur: 25 ° C | (1) ACD |
| pka | 3,45 ± 0,70 | Meest basistemperatuur: 25 ° C | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Voorwaarde | Bron |
| Vrij roteerbare bindingen | 17 | (1) ACD | |
| H ACCEPTORS | 12 | (1) ACD | |
| H Donoren | 1 | (1) ACD | |
| H Donor/Acceptor -som | 13 | (1) ACD | |
| logp | 6.918 ± 0,641 | Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 748.78 |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Eigendom | Waarde | Conditiebron |
| Pooloppervlak | 145 A2 | (1) ACD |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
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