![C42H52N5O9P sitidien, N-asetiel-5 ′ -O- [bis (4-metoksifeniel) fenielmetiel] -2 ′ -O- metiel-, 3 ′-[2-cyanoethyl N, N-bis (1-metieletiel) fosforamidiet] (Aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C42H52N5O9P sitidien, N-asetiel-5 ′ -O- [bis (4-metoksifeniel) fenielmetiel] -2 ′ -O- metiel-, 3 ′-[2-cyanoethyl N, N-bis (1-metieletiel) fosforamidiet] (Aci) bevat beeld](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine.png)
C42H52N5O9P sitidien, N-asetiel-5 ′ -O- [bis (4-metoksifeniel) fenielmetiel] -2 ′ -O- metiel-, 3 ′-[2-cyanoethyl N, N-bis (1-metieletiel) fosforamidiet] (Aci)
CAS -registernommer
199593-09-4
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 801.87 | - |
| PKA (voorspel) | 10,18 ± 0,20 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte
N#CCCOP (OC1C (OC (N2C = CC (= NC2 = O) NC (= O) C) C1OC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) N (C) C) C (C) C)
Isomeriese glimlagte
C (oc [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (oc) [c @@ h] (o1) n2c (= o) n = c (nc (c) = o) c = c2) (c3 = cc = c (oc) c = c3) (c4 = ccc = C (oc) c = c4) c5 = cc = cc = c5
Duim
INCHI = 1S/C42H52N5O9P/C1-28 (2) 47 (29 (3) 4) 57 (54-26-12-24-43) 56-38-36 (55-40 (39 (38) 52-8) 46-25-23-37) -42 (31-13-10-9-11-14-31,32-15-19-34 (50-6) 20-16-32) 33-17-21-35 (51-7) 22-18-33/H9-11,13-23,25,28-29,36,38-40H, 12,26-27H2,1-8H3, ( H, 44,45,48,49)/T36-, 38-, 39-, 40-, 57?/M1/S1
Inchi -sleutel
Wnwumipfloktez-uaqipllrsa-n
1 Ander naam vir hierdie stof
Sitidien,N-asetiel -5 ′ -O-[bis (4-metoksifeniel) fenielmetiel] -2 ′-O-methyl-, 3 ′-[2-cyanoethyl bis (1-metieletiel) fosforamidiet] (9ci)
Eiendom beskikbaar
Biologies
Chemies
Lipinski
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 4.77 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 50.1 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2190 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 21700 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 35700 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 37800 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 37900 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 37300 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 31400 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 12300 | 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 8.29 pH 1; Temp: 25 ° C (1) ACD |
| KOC 87.1 pH 2; Temp: 25 ° C (1) ACD |
| KOC 3800 PH 3; Temp: 25 ° C (1) ACD |
| KOC 37700 pH 4; Temp: 25 ° C (1) ACD |
| KOC 62000 pH 5; Temp: 25 ° C (1) ACD |
| KOC 65700 pH 6; Temp: 25 ° C (1) ACD |
| KOC 65900 pH 7; Temp: 25 ° C (1) ACD |
| KOC 64700 pH 8; Temp: 25 ° C (1) ACD |
| KOC 54500 pH 9; Temp: 25 ° C (1) ACD |
| KOC 21400 pH 10; Temp: 25 ° C (1) ACD |
| LOGD 2.43 pH 1; Temp: 25 ° C (1) ACD |
| LOGD 3.45 pH 2; Temp: 25 ° C (1) ACD |
| LOGD 5.09 pH 3; Temp: 25 ° C (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| logd | 6.09 | Ph 4; Temp: 25 ° C | (1) ACD |
| logd | 6.30 | Ph 5; Temp: 25 ° C | (1) ACD |
| logd | 6.33 | Ph 6; Temp: 25 ° C | (1) ACD |
| logd | 6.33 | Ph 7; Temp: 25 ° C | (1) ACD |
| logd | 6.32 | Ph 8; Temp: 25 ° C | (1) ACD |
| logd | 6.25 | Ph 9; Temp: 25 ° C | (1) ACD |
| logd | 5.84 | Ph 10; Temp: 25 ° C | (1) ACD |
| logp | 6.329 ± 0.771 | Temp: 25 ° C | (1) ACD |
| Massa intrinsieke oplosbaarheid | 1,8 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,4 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,14 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3.1 x 10-3 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,2 x 10-4 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,9 x 10-4 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,8 x 10-4 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,8 x 10-4 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,8 x 10-4 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,2 x 10-4 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 5,6 x 10-4 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,8 x 10-4 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 2.3 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,8 x 10-3 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,7 x 10-4 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3,9 x 10-6 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4,0 x 10-7 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,4 x 10-7 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2.3 x 10-7 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2.3 x 10-7 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2.3 x 10-7 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,8 x 10-7 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 7,0 x 10-7 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2.3 x 10-7 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molekulêre gewig | 801.87 | ||
| pka | 10,18 ± 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)
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare bindings | 18 | (1) ACD | |
| H Acceptors | 14 | (1) ACD | |
| H -donateurs | 1 | (1) ACD | |
| H Skenker/Acceptor Sum | 15 | (1) ACD | |
| logp | 6.329 ± 0.771 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 801.87 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom | Waarde | Toestandbron |
| Pooloppervlakte | 167 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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