C38H37N3O8 nog niet toegewezen
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 663.72 | - |
| Dichtheid (voorspeld) | 1,304 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (voorspeld) | 8,27 ± 0,10 | Meest zure temperatuur: 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 = C (OC) C = C6) C (O) C6) C (O) C6) C (O) C6)
Isomere glimlach
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 = C (OC) C = C5) C6 = C5) C6 = C5)
Inchi
Inchi = 1S/C38H37N3O8/C1-46-29-17-13-27 (14-18-29) 38 (26-11-7-4-4-8-12-26,28-15-19-30 (47-2) 20-16-28) 48-24-33-32 (42) 21-34 (49-333) 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
Inchi sleutel
NZBGRVLZISPURB-LBFZIJHGSA-N
| Eigenschappen beschikbaar |
| Biologisch |
| Eigenschappen beschikbaar |
| Chemisch |
| Dikte |
| Lipinski |
| Structuur gerelateerd |
Biologisch
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 5250 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 5250 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 5260 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 5260 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 5250 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 5200 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 4720 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 2460 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 466 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 96.9 | 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 | 16000 | pH 1; Temp: 25 ° C | (1) ACD |
| KOC | 16000 | pH 2; Temp: 25 ° C | (1) ACD |
| KOC | 16000 | pH 3; Temp: 25 ° C | (1) ACD |
| KOC | 16000 | pH 4; Temp: 25 ° C | (1) ACD |
| KOC | 16000 | pH 5; Temp: 25 ° C | (1) ACD |
| KOC | 15800 | pH 6; Temp: 25 ° C | (1) ACD |
| KOC | 14400 | pH 7; Temp: 25 ° C | (1) ACD |
| KOC | 7510 | pH 8; Temp: 25 ° C | (1) ACD |
| KOC | 1420 | pH 9; Temp: 25 ° C | (1) ACD |
| KOC | 296 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 5.20 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 5.20 | pH 2; Temp: 25 ° C | (1) ACD |
| logd | 5.20 | pH 3; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| logd | 5.20 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 5.20 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 5.19 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 5.15 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 4.87 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 4.15 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 3.46 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 5.198 ± 0,644 | Temp: 25 ° C | (1) ACD |
| Massale intrinsieke oplosbaarheid | 9,3 x 10-6 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 9,3 x 10-6 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 9,3 x 10-6 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 9,3 x 10-6 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 9,3 x 10-6 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 9,3 x 10-6 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 9,3 x 10-6 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.1 x 10-5 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 2.0 x 10-5 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.1 x 10-4 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 5.1 x 10-4 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.1 x 10-5 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molaire intrinsieke oplosbaarheid | 1,4 x 10-8 mol/l | Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,4 x 10-8 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,4 x 10-8 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,4 x 10-8 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,4 x 10-8 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,4 x 10-8 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,4 x 10-8 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.6 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 | 1.6 x 10-7 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 7.7 x 10-7 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1.6 x 10-8 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Molecuulgewicht | 663.72 | ||
| pka | 8,27 ± 0,10 | Meest zure temperatuur: 25 ° C | (1) ACD |
| pka | -1,66 ± 0,20 | Meest basistemperatuur: 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 | 1,304 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molair volume | 508,6 ± 3,0 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 | 11 | (1) ACD | |
| H Donoren | 3 | (1) ACD | |
| H Donor/Acceptor -som | 14 | (1) ACD | |
| logp | 5.198 ± 0,644 | Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 663.72 |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Structuur gerelateerd
| Eigendom | Waarde | Voorwaarde | Bron |
| Pooloppervlak | 136 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
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![C30H30N2O8 uridine, 5′-O- [bis (4-methoxyfenyl) fenylmethyl]-(9ci, aci)](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine-300x300.jpg)