![C45H56N7O9P guanosine, 5 ′ -O- [bis (4-methoxyphenyl) fenielmetiel] -2 ′ -o-metiel-N- (2-metiel-1-oksopropyl)-, 3 ′-[2-sjanoethyl N, N-Bis (1-metieletiel) fosforamidiet] (Aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C45H56N7O9P guanosine, 5 ′ -o- [bis (4-methoxyphenyl) fenielmetiel] -2 ′ -o-metiel-n- (2-metiel-1-oksopropyl)-, 3 ′-[2-sjanoethyl N, N-Bis (1-metieletiel) fosforamidiet] (Aci) Bedryf beeld](https://cdn.globalso.com/nvchem/C45H56N7O9P.png)
C45H56N7O9P guanosine, 5 ′ -O- [bis (4-methoxyphenyl) fenielmetiel] -2 ′ -o-metiel-N- (2-metiel-1-oksopropyl)-, 3 ′-[2-sjanoethyl N, N-Bis (1-metieletiel) fosforamidiet] (Aci)
CAS -registernommer
150780-67-9
H303
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 869.94 | - |
| PKA (voorspel) | 9.16 ± 0.20 | Die meeste suur temp: 25 ° C |
N#CCCOP (OC1C (OC (N2C = NC = 3C (= O) n = C (NC (= O) C (C) C) NC32) C1OC) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C (C6 = CC = C (OC) C = C6) N (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) C (C) c (C) 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) n2c3 = c (n = c2) c (= o) n = c (nc (c) c (c) c) = o) n3) (c4 = c (oc) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Duim
Inchi = 1S/C45H56N7O9P/C1-28 (2) 41 (53) 49-44-48-40-37 (42 (54) 50-44) 47-27-51 (40) 43-39 (57-9) 38 (61-62 (59-25-13-24-
46) 52 (29 (3) 4) 30 (5) 6) 36 (60-43) 26-58-45 (31-14-11-10-12-15-31,32-16-22-34 (55-7) 21-17-32) 33-18-22-35 (56-8) 23-19-33/H10-12,14-23,27 -30,36,38-39,43H, 13,25-26H2,1-9H3, (H2,48,49,50,53,54)/T36-, 38-, 39-, 43-, 62?/M1/S1
Inchi -sleutel
Irrdhrzuoznwdj-mlldkzsosa-n
1 Ander naam vir hierdie stof
Guanosine, 5 ′ -O-[bis (4-metoksifeniel) fenielmetiel] -2 ′-O-methyl-N-(2-metiel-1-oksopropyl)-, 3 ′-[2-cyanoethyl bis (1-metieletiel) fosforamidiet] (9ci)
Spektra beskikbaar
13 C NMR
Hetero NMR
Eiendom beskikbaar
Biologies
Chemies
Lipinski
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 183 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 3890 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 35500 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.08 x 105 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,36 x 105 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,39 x 105 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,38 x 105 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1,24 x 105 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 63600 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 11900 | 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 | 220 | Ph 1; Temp: 25 ° C | (1) ACD |
| KOC | 4680 | Ph 2; Temp: 25 ° C | (1) ACD |
| KOC | 42600 | Ph 3; Temp: 25 ° C | (1) ACD |
| KOC | 1.30 x 105 | Ph 4; Temp: 25 ° C | (1) ACD |
| KOC | 1,63 x 105 | Ph 5; Temp: 25 ° C | (1) ACD |
| KOC | 1,67 x 105 | Ph 6; Temp: 25 ° C | (1) ACD |
| KOC | 1,65 x 105 | Ph 7; Temp: 25 ° C | (1) ACD |
| KOC | 1,49 x 105 | Ph 8; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| KOC | 76400 | Ph 9; Temp: 25 ° C | (1) ACD |
| KOC | 14200 | Ph 10; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | Ph 1; Temp: 25 ° C | (1) ACD |
| logd | 5.52 | Ph 2; Temp: 25 ° C | (1) ACD |
| logd | 6.48 | Ph 3; Temp: 25 ° C | (1) ACD |
| logd | 6.96 | Ph 4; Temp: 25 ° C | (1) ACD |
| logd | 7.06 | Ph 5; Temp: 25 ° C | (1) ACD |
| logd | 7.07 | Ph 6; Temp: 25 ° C | (1) ACD |
| logd | 7.07 | Ph 7; Temp: 25 ° C | (1) ACD |
| logd | 7.02 | Ph 8; Temp: 25 ° C | (1) ACD |
| logd | 6.73 | Ph 9; Temp: 25 ° C | (1) ACD |
| logd | 6.00 | Ph 10; Temp: 25 ° C | (1) ACD |
| logp | 7.072 ± 0.721 | Temp: 25 ° C | (1) ACD |
| Massa intrinsieke oplosbaarheid | 1,2 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,096 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4.3 x 10-3 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4,8 x 10-4 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,6 x 10-4 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,2 x 10-4 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,2 x 10-4 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,2 x 10-4 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,4 x 10-4 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 2,7 x 10-4 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,4 x 10-3 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,2 x 10-4 g/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 1,4 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,1 x 10-4 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 5,0 x 10-6 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 5,5 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 | 1,4 x 10-7 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,4 x 10-7 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre oplosbaarheid | 1,4 x 10-7 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,6 x 10-7 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3.1 x 10-7 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,6 x 10-6 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,4 x 10-7 mol/l | Ongebufferde water pH 7,00; Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 869.94 | ||
| pka | 9.16 ± 0.20 | 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 | 19 | (1) ACD | |
| H Acceptors | 16 | (1) ACD | |
| H -donateurs | 2 | (1) ACD | |
| H Skenker/Acceptor Sum | 18 | (1) ACD | |
| logp | 7.072 ± 0.721 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 869.94 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom | Waarde | Toestandbron |
| Pooloppervlakte | 194 A2 | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Spektra beskikbaar
1 H NMR
13 C NMR
| Kode | Gevaarverklaring | Bron |
| H303 | Kan skadelik wees as dit ingesluk word | Kundige saamgestel |
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