![C47H60N7O10P guanosine, 5 ′ -o- [bis (4-methoxyphenyl) fenielmethyl] -2 ′ -o- (2- methoxyethyl) -n- (2-metiel-1-oksopropyl)-, 3 ′-[2-cyanoethyl N, N-bis (1-metieletiel) fosforamiede] (acanoethyl)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C47H60N7O10P guanosine, 5 ′ -o- [bis (4-methoxyphenyl) fenielmethyl] -2 ′ -o- (2- methoxyethyl) -n- (2-metiel-1-oksopropyl)-, 3 ′-[2-cyanoethyl N, N-bis (1-metieletiel) fosforamidiet] (acii) (1-metieletiel) fosforamidiet]](https://cdn.globalso.com/nvchem/C47H60N7O10P-Guanosine.png)
C47H60N7O10P guanosine, 5 ′ -o- [bis (4-methoxyphenyl) fenielmethyl] -2 ′ -o- (2- methoxyethyl) -n- (2-metiel-1-oksopropyl)-, 3 ′-[2-cyanoethyl N, N-bis (1-metieletiel) fosforamiede] (acanoethyl)
CAS -registernommer
251647-55-9
H302
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 914.00 | - |
| PKA (voorspel) | 9.16 ± 0.20 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte
N#CCCOP (OC1C (OC (N2C = NC = 3C (= O) n = C (NC (= O) C (C) C) NC32) C1OCCOC) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) 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) 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] (occoc) [c @@ h] (o1) n2c3 = c (n = c2) c (= o) n = c (nc (c (c) c) = o) n3) (c4 = cc = c (c) (Oc) c = c4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Duim
INCHI = 1S/C47H60N7O10P/C1-30 (2) 43 (55) 51-46-50-42-39 (44 (56) 52-46) 49-29-53 (42) 45-41 (60-27-26-57-7) 40 (64-65 (62-25-13-24-48) 54 (64-65 (62-25-13-24-48) 31 (3) 4) 32 (5) 6) 38 (63-45) 28-61-47 (33-14-11-10-12-15-33,34-16-20-36 (58-8) 21-17-34) 35-18-22-37 (59-9) 23-19-35/H10-12,14-23,29-32,38 , 40-41,45H, 13,25-28H2,1-9H3, (H2,50,51,52,55,56)/T38-, 40-, 41-, 45-, 65?/M1/S1
Inchi -sleutel
LADCDGNEBIQAUAU-SBCRAQIVSA-N
17 ander name vir hierdie stof
Guanosine, 5 ′ -O-[bis (4-metoksifeniel) fenielmetiel] -2 ′-O-(2-methoxyethyl)-N-(2-metiel-1-oksopropyl)-, 3 ′-[2-cyanoethyl bis (1- metieletiel) fosforamidiet] (9ci); 17: PN: US20030212017 Bladsy: 20 beweerde volgorde; 18: PN: US20030211606 Bladsy: 20
beweerde volgorde; 19: PN: US20040005569 Bladsy: 22 beweerde volgorde; 21: PN: US20040006030 Page: 23 beweerde volgorde; 21: PN: US20040014047 Bladsy: 21 beweerde volgorde; 21: PN: US20040014049 Bladsy: 21 beweerde volgorde; 22: PN: US20030198965 PAG
E: 20 beweerde volgorde; 22: PN: US20040005570 Bladsy: 21 beweerde volgorde; 22: PN: US20040014048 Bladsy: 21 beweerde volgorde;
22: PN: US20040014050 Bladsy: 21 beweerde volgorde; 23: PN: US20040005565 Bladsy: 17- 22 beweerde volgorde; 23: PN: US20040
014051 Bladsy: 23 beweerde volgorde; 24: PN: US20040014699 Bladsy: 21 beweerde volgorde; 25: PN: US20040006029 Bladsy: 23 beweerde volgorde; 25: PN: WO03106645 Bladsy: 73 beweerde volgorde; 96: PN: US20040005707 Bladsy: 21 beweerde volgorde
Spektra beskikbaar
13 C NMR
Hetero NMR
Eiendom beskikbaar
Biologies
Chemies
Lipinski
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 121 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 2580 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 23500 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 71800 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 89800 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 92100 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 91300 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 82500 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 42200 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 7860 | 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 | 164 | Ph 1; Temp: 25 ° C | (1) ACD |
| KOC | 3480 | Ph 2; Temp: 25 ° C | (1) ACD |
| KOC | 31700 | Ph 3; Temp: 25 ° C | (1) ACD |
| KOC | 96900 | Ph 4; Temp: 25 ° C | (1) ACD |
| KOC | 1,21 x 105 | Ph 5; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| KOC | 1,24 x 105 | Ph 6; Temp: 25 ° C | (1) ACD |
| KOC | 1.23 x 105 | Ph 7; Temp: 25 ° C | (1) ACD |
| KOC | 1.11 x 105 | Ph 8; Temp: 25 ° C | (1) ACD |
| KOC | 56900 | Ph 9; Temp: 25 ° C | (1) ACD |
| KOC | 10600 | Ph 10; Temp: 25 ° C | (1) ACD |
| logd | 3.95 | Ph 1; Temp: 25 ° C | (1) ACD |
| logd | 5.28 | Ph 2; Temp: 25 ° C | (1) ACD |
| logd | 6.24 | Ph 3; Temp: 25 ° C | (1) ACD |
| logd | 6.73 | Ph 4; Temp: 25 ° C | (1) ACD |
| logd | 6.82 | Ph 5; Temp: 25 ° C | (1) ACD |
| logd | 6.83 | Ph 6; Temp: 25 ° C | (1) ACD |
| logd | 6.83 | Ph 7; Temp: 25 ° C | (1) ACD |
| logd | 6.79 | Ph 8; Temp: 25 ° C | (1) ACD |
| logd | 6.50 | Ph 9; Temp: 25 ° C | (1) ACD |
| logd | 5.77 | Ph 10; Temp: 25 ° C | (1) ACD |
| logp | 6.837 ± 0.764 | Temp: 25 ° C | (1) ACD |
| Massa intrinsieke oplosbaarheid | 4.4 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,34 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,016 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,7 x 10-3 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 5,7 x 10-4 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4.6 x 10-4 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4.4 x 10-4 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4.5 x 10-4 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4,9 x 10-4 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,0 x 10-3 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 5.2 x 10-3 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4.5 x 10-4 g/l | Ongebufferde water pH 6,99; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 4,8 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3,7 x 10-4 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,7 x 10-5 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,9 x 10-6 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre oplosbaarheid | 6,2 x 10-7 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 5,0 x 10-7 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4,8 x 10-7 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4,9 x 10-7 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 5.4 x 10-7 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,1 x 10-6 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 5,7 x 10-6 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4,9 x 10-7 mol/l | Ongebufferde water pH 6,99; Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 914.00 | ||
| 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 | 22 | (1) ACD | |
| H Acceptors | 17 | (1) ACD | |
| H -donateurs | 2 | (1) ACD | |
| H Skenker/Acceptor Sum | 19 | (1) ACD | |
| logp | 6.837 ± 0.764 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 914.00 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom | Waarde | Toestandbron |
| Pooloppervlakte | 203 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 | |
| H302 skadelik as dit ingesluk word | European Chemical Agency (ECHA) klassifikasie en etikettering Inventaris - In kennis gestel van klassifikasie en etikettering - die algemeenste kennisgewings, Europese chemiese agentskap (ECHA) Klassifikasie en etiketteringsvoorraad - In kennis gestel in klassifikasie en etikettering - die ernstigste kennisgewings |
![C41H41N5O8 adenosien, N-benzoyl-5′-O- [bis (4-metoksifeniel) fenielmetiel] -2′- O- (2-methoxyethyl)-(9ci, ACI)](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine-300x300.jpg)
![C50H58N7O9P adenosien, N-benzoyl-5 ′ -O- [bis (4-metoksifeniel) fenielmetiel] -2 ′-O- (2-methoxyethyl)-, 3 ′-[2-cyanoethyl N, N-Bis (1-metieletiel) fosforamidiet] (ACI))](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C21H21N3O6 tymidien, α- [(1-naftalenielmetiel) amino]- α-oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.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)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)