![C39H46FN4O8P Uridine, 5 ′ -o- [bis (4-methoxyphenyl) fenielmethyl] -2 ′ -deoxy-2 ′-fluoro-, 3 ′-[2-cyanoethyl N, N-bis (1-metieletiel) fosforamidiet] (aci))](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H46FN4O8P Uridine, 5 ′ -o- [bis (4-methoxyphenyl) fenielmetiel] -2 ′ -deoxy-2 ′-fluoro-, 3 ′-[2-cyanoethyl n, n-bis (1-metieletiel) fosforamidiet] (aci) het beeld.](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine.png)
C39H46FN4O8P Uridine, 5 ′ -o- [bis (4-methoxyphenyl) fenielmethyl] -2 ′ -deoxy-2 ′-fluoro-, 3 ′-[2-cyanoethyl N, N-bis (1-metieletiel) fosforamidiet] (aci))
CAS -registernommer
146954-75-8
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 748.78 | - |
| PKA (voorspel) | 9,39 ± 0,10 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte
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)
Isomeriese glimlagte
C (OC [c @@ h] 1 [c @@ h] (op (n (c (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) c (c5)
Duim
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) 25-49-39 (28-11111) -8-7-9-12-28,29-13-17-31 (47-5) 18-14-29) 30-15-19-32 (48-6) 20-16-30/H7-9,11-21,23,26-27,33,35-37H, 10,24-25H2,1-6H3, (H, 42,45,46)/T3 3-, 35-, 36-, 37-, 53?/M1/S1
Inchi -sleutel
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Ander naam vir hierdie stof
Uridien, 5 ′ -O-[bis (4-metoksifeniel) fenielmetiel] -2 ′ -deoxy-2 ′ -fluoro-, 3 ′-[2-cyano-ethyl bis (1-metieletiel) fosforamidiet] (9ci)
Eiendom beskikbaar
Biologies
Chemies
Lipinski
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 457 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 3690 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 27700 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 82900 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.04 x 105 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.06 x 105 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.06 x 105 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.02 x 105 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 76200 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 22000 | Ph 10; Temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom Waarde -toestand 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 |
| Eiendom | Waarde | Toestand | 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 |
| Massa intrinsieke oplosbaarheid | 2,2 x 10-5 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 5.1 x 10-3 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 6,3 x 10-4 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 8,2 x 10-5 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,8 x 10-5 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,2 x 10-5 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,2 x 10-5 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,2 x 10-5 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,2 x 10-5 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,0 x 10-5 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,0 x 10-4 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,2 x 10-5 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 2,9 x 10-8 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 6,8 x 10-6 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 8,4 x 10-7 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,1 x 10-7 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3,7 x 10-8 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3.0 x 10-8 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,9 x 10-8 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,9 x 10-8 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3.0 x 10-8 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4,0 x 10-8 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,4 x 10-7 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,9 x 10-8 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molekulêre gewig | 748.78 | ||
| pka | 9,39 ± 0,10 | Die meeste suur temp: 25 ° C | (1) ACD |
| pka | 3,45 ± 0,70 | 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)
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare bindings | 17 | (1) ACD | |
| H Acceptors | 12 | (1) ACD | |
| H -donateurs | 1 | (1) ACD | |
| H Skenker/Acceptor Sum | 13 | (1) ACD | |
| logp | 6.918 ± 0.641 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 748.78 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom | Waarde | Toestandbron |
| Pooloppervlakte | 145 A2 | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
![C36H39N5O8 Guanosine, 5′-O- [Bis (4-methoxyphenyl) fenielmetiel] -2′-O-metiel-N- (2-metiel-1-oksopropyl)-(9ci, ACI)](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine-300x300.jpg)
![C39H37N5O7 adenosien, N-benzoyl-5′-O- [Bis (4-metoksifeniel) fenielmetiel] -2′- O-metiel- (9ci, aci)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C33H35N3O8 Sitidien, N-asetiel-5′-O- [Bis (4-metoksifeniel) fenielmetiel] -2′-o-metiel- (9ci, ACI)](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine-300x300.jpg)
![C48H54N7O8P Adenosine, N-Benzoyl-5 ′ -O- [Bis (4-methoxyphenyl) fenielmetiel] -2 ′-O-methyl-, 3 ′-[2-cyanoethyl N, N-bis (1-metieletiel) fosfor amidiet] (Aci)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)
![C44H49N5O7Si adenosien, N-benzoyl-5′-O- [Bis (4-metoksifeniel) fenielmetiel] -2′- O-[(1,1-dimetieletiel) dimetielsiliel]-(9ci, aci)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)