![C30H29FN2O7 uridine, 5′-O- [BIS (4-methoxyfenyl) fenylmethyl] -2′-deoxy-2′-fluoro- (9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H29FN2O7 URIDINE, 5′-O- [BIS (4-methoxyfenyl) fenylmethyl] -2′-deoxy-2′-fluoro- (9ci, ACI) Afbeelding](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine.jpg)
C30H29FN2O7 uridine, 5′-O- [BIS (4-methoxyfenyl) fenylmethyl] -2′-deoxy-2′-fluoro- (9ci, aci)
| Belangrijkste fysieke eigenschappen | Waarde | Voorwaarde |
| Molecuulgewicht | 548.56 | - |
| Smeltpunt (experimenteel) | 118-120 ° C | - |
| Dichtheid (voorspeld) | 1,38 ± 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) C2F
Isomere glimlach c (oc [c@h] 1o [c@h] ([c@h] (f) [c @@ h] 1o) n2c (= o) nc (= o) c = c2) (c3 = cc = c (oc) c = c3) (c4 = cc = c (oc) c = c4) c5 = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = c5
Inchi
Inchi = 1S/C30H29FN2O7/C1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-24-27 (35) 26 (31) 28 (40-24) 33
-17-16-25 (34) 32-29 (33) 36/H3-17,24,26-28,35H, 18H2,1-2H3, (H, 32,34,36)/T24-, 26-, 27-, 28-/M1/S1
Inchi sleutel
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1 andere naam voor deze stof
5′-O- [bis (4-methoxyfenyl) fenylmethyl] -2′-deoxy-2′-fluorouridine (ACI)
Eigenschappen beschikbaar
Thermisch
Thermisch
| Eigendom | Waarde | Voorwaarde | Bron |
| Smeltpunt | 118-120 ° C | (1) CAS | |
(1) Penjarla, Srishylam; Nucleosiden, nucleotiden en nucleïnezuren, (2018), 37 (4), 232-247, caplus
Spectra beschikbaar
1H NMR
13c NMR
| Eigenschappen beschikbaar |
| Biologisch |
| Chemisch |
| Dikte |
| Lipinski |
| Structuur gerelateerd |
Biologisch
| Eigendom | Waarde | Voorwaarde | Bron |
| Bioconcentratiefactor | 3580 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 3580 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 3580 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 3580 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 3580 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 3580 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 3570 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 3430 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 2500 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentratiefactor | 689 | 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 | 12200 | pH 1; Temp: 25 ° C | (1) ACD |
| KOC | 12200 | pH 2; Temp: 25 ° C | (1) ACD |
| KOC | 12200 | pH 3; Temp: 25 ° C | (1) ACD |
| KOC | 12200 | pH 4; Temp: 25 ° C | (1) ACD |
| KOC | 12200 | pH 5; Temp: 25 ° C | (1) ACD |
| KOC | 12200 | pH 6; Temp: 25 ° C | (1) ACD |
| KOC | 12100 | pH 7; Temp: 25 ° C | (1) ACD |
| KOC | 11700 | pH 8; Temp: 25 ° C | (1) ACD |
| KOC | 8480 | pH 9; Temp: 25 ° C | (1) ACD |
| KOC | 2340 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | pH 2; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 4.96 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 4.82 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 4.26 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 4.979 ± 0,563 | Temp: 25 ° C | (1) ACD |
| Massale intrinsieke oplosbaarheid | 9,9 x 10-5 g/l | Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 9,9 x 10-5 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 9,9 x 10-5 g/l | pH 2; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 9,9 x 10-5 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 9,9 x 10-5 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 9,9 x 10-5 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 9,9 x 10-5 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 9,9 x 10-5 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 9,9 x 10-5 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 1.4 x 10-4 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Massale oplosbaarheid | 5,0 x 10-4 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Eigendom | Waarde | Voorwaarde | Bron |
| Massale oplosbaarheid | 9,9 x 10-5 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molaire intrinsieke oplosbaarheid | 1,8 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,8 x 10-7 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,8 x 10-7 mol/l | pH 2; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,8 x 10-7 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,8 x 10-7 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,8 x 10-7 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,8 x 10-7 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,8 x 10-7 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,8 x 10-7 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 2,5 x 10-7 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 9,2 x 10-7 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Molaire oplosbaarheid | 1,8 x 10-7 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 548.56 | ||
| 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 | 1,38 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molair volume | 395,8 ± 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 | 10 | (1) ACD | |
| H ACCEPTORS | 9 | (1) ACD | |
| H Donoren | 2 | (1) ACD | |
| H Donor/Acceptor -som | 11 | (1) ACD | |
| logp | 4.979 ± 0,563 | Temp: 25 ° C | (1) ACD |
| Molecuulgewicht | 548.56 |
(1) Berekend met behulp van Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Structuur gerelateerd
| Eigendom | Waarde | Voorwaarde | Bron |
| Pooloppervlak | 107 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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