![C33H35N3O8 Sitidien, N-asetiel-5′-O- [Bis (4-metoksifeniel) fenielmetiel] -2′-o-metiel- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H35N3O8 sitidien, N-asetiel-5′-O- [Bis (4-metoksifeniel) fenielmetiel] -2′-O-metiel- (9ci, ACI) het beeld](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine.jpg)
C33H35N3O8 Sitidien, N-asetiel-5′-O- [Bis (4-metoksifeniel) fenielmetiel] -2′-o-metiel- (9ci, ACI)
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 601.65 | - |
| Digtheid (voorspel) | 1,28 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr |
| PKA (voorspel) | 10,19 ± 0,20 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte o = c1n = c (c = cn1c2oc (coc (c = 3c = cc = cc3) (c4 = cc = c (oc) c = c4) c5 = cc = c (oc) c = c5) c (o) c2oc) nc (= o) c
Isomeriese glimlag C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C (= O) n = C (NC (C) = O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C = C4)
Duim
Inchi = 1S/C33H35N3O8/C1-21 (37) 34-28-18-19-36 (32 (39) 35-28) 31-30 (42-4) 29 (38) 27 (44-31) 20-43-33 (22-8-6-5-7-7-9-22,23-10-14-25 (40-6-2)) 15-11-23) 24-12-16-26 (41-3) 17-13-24/H5-19,27,29-31,38H, 20H2,1-4H3, (H, 34,35,37,39)/T27-, 29-, 30-, 31-/M1/S1
Inchi -sleutel
Finuhojildneln-pmfucwtesa-n
1 Ander naam vir hierdie stof
N-asetiel-5′-O- [bis (4-methoxyphenyl) fenielmetiel] -2′-O-O-metielcytidien (ACI)
| Eiendom beskikbaar |
| Biologies |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
Biologies
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 8.87 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 27.8 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 171 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 515 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 650 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 668 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 668 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 657 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 560 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 229 | 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 | 48.6 | Ph 1; Temp: 25 ° C | (1) ACD |
| KOC | 152 | Ph 2; Temp: 25 ° C | (1) ACD |
| KOC | 935 | Ph 3; Temp: 25 ° C | (1) ACD |
| KOC | 2820 | Ph 4; Temp: 25 ° C | (1) ACD |
| KOC | 3560 | Ph 5; Temp: 25 ° C | (1) ACD |
| KOC | 3660 | Ph 6; Temp: 25 ° C | (1) ACD |
| KOC | 3660 | Ph 7; Temp: 25 ° C | (1) ACD |
| KOC | 3600 | Ph 8; Temp: 25 ° C | (1) ACD |
| KOC | 3070 | Ph 9; Temp: 25 ° C | (1) ACD |
| KOC | 1250 | Ph 10; Temp: 25 ° C | (1) ACD |
| logd | 2.14 | Ph 1; Temp: 25 ° C | (1) ACD |
| logd | 2.64 | Ph 2; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| logd | 3.43 | Ph 3; Temp: 25 ° C | (1) ACD |
| logd | 3.91 | Ph 4; Temp: 25 ° C | (1) ACD |
| logd | 4.01 | Ph 5; Temp: 25 ° C | (1) ACD |
| logd | 4.02 | Ph 6; Temp: 25 ° C | (1) ACD |
| logd | 4.02 | Ph 7; Temp: 25 ° C | (1) ACD |
| logd | 4.01 | Ph 8; Temp: 25 ° C | (1) ACD |
| logd | 3.94 | Ph 9; Temp: 25 ° C | (1) ACD |
| logd | 3.55 | Ph 10; Temp: 25 ° C | (1) ACD |
| logp | 4.021 ± 0.768 | Temp: 25 ° C | (1) ACD |
| Massa intrinsieke oplosbaarheid | 1,3 x 10-3 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,10 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,032 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 5.2 x 10-3 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,7 x 10-3 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,4 x 10-3 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,3 x 10-3 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,3 x 10-3 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,3 x 10-3 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,6 x 10-3 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,9 x 10-3 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,3 x 10-3 g/l | Ongebufferde water pH 6,99; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 2,2 x 10-6 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,7 x 10-4 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 5.3 x 10-5 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 8,6 x 10-6 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,9 x 10-6 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,3 x 10-6 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,2 x 10-6 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,2 x 10-6 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,2 x 10-6 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,6 x 10-6 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 6,4 x 10-6 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre oplosbaarheid | 2,2 x 10-6 mol/l | Ongebufferde water pH 6,99; Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 601.65 | ||
| pka | 10,19 ± 0,20 | Die meeste suur temp: 25 ° C | (1) ACD |
| pka | 3,57 ± 0,20 | Die meeste basiese 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 | 1,28 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 466,5 ± 7,0 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 | 11 | (1) ACD | |
| H Acceptors | 11 | (1) ACD | |
| H -donateurs | 2 | (1) ACD | |
| H Skenker/Acceptor Sum | 13 | (1) ACD | |
| logp | 4.021 ± 0.768 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 601.65 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Pooloppervlakte | 128 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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