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C30H29FN2O7 Uridine, 5′-O- [Bis (4-methoxyphenyl) fenielmetiel] -2′-deoxy-2′- fluoro- (9ci, aci)
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 548.56 | - |
| Smeltpunt (eksperimenteel) | 118-120 ° C | - |
| Digtheid (voorspel) | 1,38 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr |
| PKA (voorspel) | 9,39 ± 0,10 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte 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
Isomeriese glimlag 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 = C5
Duim
Inchi = 1S/C30H29FN2O7/C1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19,21-10-14-23 (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 Ander naam vir hierdie stof
5′-O- [bis (4-methoxyphenyl) fenielmetiel] -2′-deoxy-2′-fluorouridine (ACI)
Eiendom beskikbaar
Termies
Termies
| Eiendom | Waarde | Toestand | Bron |
| Smeltpunt | 118-120 ° C | (1) Cas | |
(1) Penjarla, Srishylam; Nukleosiede, nukleotiede en nukleïensure, (2018), 37 (4), 232-247, caplus
Spektra beskikbaar
1H NMR
13C NMR
| Eiendom beskikbaar |
| Biologies |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
Biologies
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 3580 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 3580 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 3580 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 3580 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 3580 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 3580 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 3570 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 3430 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2500 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 689 | Ph 10; Temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Chemies
| Eiendom | Waarde | Toestand | 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 |
| Massa intrinsieke oplosbaarheid | 9,9 x 10-5 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 9,9 x 10-5 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 9,9 x 10-5 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 9,9 x 10-5 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 9,9 x 10-5 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 9,9 x 10-5 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 9,9 x 10-5 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 9,9 x 10-5 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 9,9 x 10-5 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,4 x 10-4 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 5,0 x 10-4 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Massa -oplosbaarheid | 9,9 x 10-5 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 1,8 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,8 x 10-7 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,8 x 10-7 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,8 x 10-7 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,8 x 10-7 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,8 x 10-7 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,8 x 10-7 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,8 x 10-7 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,8 x 10-7 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,5 x 10-7 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 9,2 x 10-7 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,8 x 10-7 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 548.56 | ||
| pka | 9,39 ± 0,10 | Die meeste suur temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Digtheid
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,38 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 395,8 ± 5,0 cm3/mol | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare bindings | 10 | (1) ACD | |
| H Acceptors | 9 | (1) ACD | |
| H -donateurs | 2 | (1) ACD | |
| H Skenker/Acceptor Sum | 11 | (1) ACD | |
| logp | 4.979 ± 0.563 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 548.56 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Pooloppervlakte | 107 A2 | (1) ACD | |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Spektra beskikbaar
1H NMR
13C NMR
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