![C50H58N7O9P Adenosine, N-Benzoyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmethyl] -2 ′ - O- (2-metoxyethyl) -, 3 ′ - [2-cyanoethyl N, N-Bis (1-methylethyl) fosforamidite] (ACI) (ACI) (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P Adenosine, N-Benzoyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmetil] -2 ′ - O- (2-metoxyethyl) -, 3 ′ - [2-cyanoethyl N, N-Bis (1-methylethyl) fosforamidit](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-Benzoyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmethyl] -2 ′ - O- (2-metoxyethyl) -, 3 ′ - [2-cyanoethyl N, N-Bis (1-methylethyl) fosforamidite] (ACI) (ACI) (ACI)
Numru tar-Reġistru CAS
251647-53-7
H302
| Propjetajiet fiżiċi ewlenin | Valur | Kundizzjoni |
| Piż molekulari | 932.01 | - |
| PKA (imbassar) | 7.87 ± 0.43 | L-iktar temp aċiduż: 25 ° C |
Tbissim kanoniku
N # cccop (oc1c (oc (n2c = nc = 3c (= nc = nc32) nc (= o) c = 4c = cc4) c1occoc) coc (c)
Tbissim isomeriku
C (oc [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) occc # n) [c @@ h] (occoc) [c @@ h] (o1) n2c = 3c (n = c2) = c (nc (= o) c4 = cc = cc = c4 = c4) n = cn3) (c5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
Inchi
INCHI = 1S / C50H58N7O9P / C1-34 (2) 57 (35 (3) 4) 67 (64-28-14-27-51) 66-44-42 (31-63-50 (37-17-17-12-9-13-13-18-37,38-19-23-40 (60-6) 24-20-38) 3 9-21-25-41 (61-7) 26-22-39) 65-49 (45 (44) 62-30-29-59-5) 56-33-54-43-46 (52-32-53-47 (43) 56) 55-48 (58) 36-15-10-8-11-16-36 32-35,42,44-45,49H, 14,28-31H2,1-7H3, (H, 52,53,55,58) / T42-, 44-, 45-, 49-, 67? / M1 / S1
INCHI Key
VPBYBQBHLYRLHG-HDMAWCRFSA-N
16 Ismijiet oħra għal din is-sustanza
Adenosine,N-benzoyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmetil] -2 ′ -O- (2-metoxyethyl) -, 3 ′ - [2-cyanoethyl bis (1-methylethyl)
phosphoramidite] (9CI); 16: PN: US20030211606 Paġna: 19 sekwenza mitluba; 16: PN: US20030212017 Paġna: 20 sekwenza mitluba; 17: PN: US20040005569 Paġna: 22 sekwenza mitluba; 19: PN: US20040006030 Paġna: 23 sekwenza mitluba; 19: PN: US20040014047
Paġna: 21 sekwenza mitluba; 19: PN: US20040014049 Paġna: 21 sekwenza mitluba; 20: PN: US20040005570 Paġna: 20 mitluba
sekwenza; 20: PN: US20040014048 Paġna: 21 sekwenza mitluba; 20: PN: US20040014050 Paġna: 20 sekwenza mitluba; 21: PN: u
S20040005565 Paġna: 17-22 sekwenza ddikjarata; 21: PN: US20040014051 Paġna: 23 sekwenza mitluba; 22: PN: US20040014699 Paġna: 20 sekwenza mitluba; 23: PN: US20040006029 Paġna: 23 sekwenza mitluba; 23: PN: WO03106645 Paġna: 73 sekwenza mitluba; 94: P N: US20040005707 Paġna: 20 sekwenza mitluba
Spettri disponibbli
1 H NMR
13 C NMR
Etero NMR
Proprjetajiet disponibbli
Bijoloġiku
Kimika
Lipinski
Struttura relatata
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 2680 | pH 1; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 71500 | pH 2; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 7.21 x 105 | pH 3; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.00 x 106 | pH 4; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.00 x 106 | pH 5; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.00 x 106 | pH 6; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.00 x 106 | pH 7; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 8.48 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.39 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 40300 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 1360 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 36300 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 3.66 x 105 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 1.13 x 106 | pH 4; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 1.42 x 106 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 1.42 x 106 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 1.17 x 106 | pH 7; Temp: 25 ° C. | (1) ACD |
| Koc | 4.30 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 70800 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 20500 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 5.77 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 7.20 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 8.20 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 8.69 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 8.79 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 8.79 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 8.71 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 8.27 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 7.49 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 6.95 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 8.803 ± 0.766 | Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika tal-massa | 5.4 x 10-5 g / l | Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.051 g / L. | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.9 x 10-3 g / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.9 x 10-4 g / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 6.0 x 10-5 g / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.8 x 10-5 g / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.8 x 10-5 g / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.8 x 10-5 g / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.6 x 10-4 g / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 9.3 x 10-4 g / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 3.6 x 10-3 g / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.7 x 10-5 g / l | PH ta 'ilma mhux imballat 6.97; Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika molari | 5.8 x 10-8 mol / l | Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 5.5 x 10-5 mol / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.0 x 10-6 mol / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità molari | 2.0 x 10-7 mol / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 6.4 x 10-8 mol / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 5.1 x 10-8 mol / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 5.1 x 10-8 mol / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 6.2 x 10-8 mol / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.7 x 10-7 mol / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.0 x 10-6 mol / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 3.9 x 10-6 mol / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 6.1 x 10-8 mol / l | PH ta 'ilma mhux imballat 6.97; Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 932.01 | ||
| PKA | 7.87 ± 0.43 | L-iktar temp aċiduż: 25 ° C | (1) ACD |
| PKA | 3.45 ± 0.70 | L-iktar temp bażiku: 25 ° C | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Proprjetà | Valur | Kundizzjoni | Sors |
| Bonds li jduru liberament | 22 | (1) ACD | |
| H aċċettaturi | 16 | (1) ACD | |
| H donaturi | 1 | (1) ACD | |
| H Donatur / Aċċettatur Somma | 17 | (1) ACD | |
| logp | 8.803 ± 0.766 | Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 932.01 |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Proprjetà | Valur | Sors tal-kundizzjoni |
| Erja tal-wiċċ polari | 187 A2 | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spettri disponibbli
1 H NMR
13 C NMR
| Kodiċi ta 'Dikjarazzjoni ta' Periklu Sors | |
| H302 ta 'ħsara jekk tinbela' | Klassifikazzjoni u Tikkettar tal-Aġenzija Kimika Ewropea (ECHA) Inventarju - Klassifikazzjoni u Tikkettar Notifikat - L-iktar Notifiki Komuni, Aġenzija Kimika Ewropea (ECHA) Inventarju tal-Klassifikazzjoni u t-Tikkettar - Klassifikazzjoni u Tikkettar Notifikati - L-iktar notifiki serji |
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