![C47H51FN7O7P Adenosine, N-Benzoyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmetil] -2 ′ - deoxy-2 ′ -fluoro-, 3 ′ - [2-cyanoethyl N, N-Bis (1-methylethyl) phosphor amidite] (ACI) (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C47H51FN7O7P Adenosine, N-Benzoyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmetil] -2 ′ - deoxy-2 ′ -fluoro-, 3 ′ - [2-cyanoethyl N, N-Bis (1-methyletiliku) (1-methylethyl) fosfa amidite] (ACI)](https://cdn.globalso.com/nvchem/C47H51FN7O7P-Adenosine.png)
C47H51FN7O7P Adenosine, N-Benzoyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmetil] -2 ′ - deoxy-2 ′ -fluoro-, 3 ′ - [2-cyanoethyl N, N-Bis (1-methylethyl) phosphor amidite] (ACI) (ACI)
Numru tar-Reġistru CAS
136834-22-5
| Propjetajiet fiżiċi ewlenin | Valur | Kundizzjoni |
| Piż molekulari | 875.92 | - |
| PKA (imbassar) | 7.87 ± 0.43 | L-iktar temp aċiduż: 25 ° C |
Tbissim kanoniku
N # cccop (oc1c (f) c (oc1coc (c = 2c = cc = cc2) (c3 = cc = c (oc) c = c3) c4 = cc = c (oc) c = c4) n5c = nc = 6c (= nc = nc65) nc (= o) c = 7c = cc = cc7) N (c (c)
Tbissim isomeriku
C (oc [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) occc # n) [c @@ h] (f) [c @@ h] (o1) n2c = 3c (n = c2) = c (nc (= o) c4 = cc = cc = c4) n = cn3) (c5 = cc = c (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
Inchi
INCHI = 1S / C47H51FN7O7P / C1-31 (2) 55 (32 (3) 4) 63 (60-27-13-26-49) 62-42-39 (61-46 (40 (42) 48) 54-30-52-41-43 (50-29-51-44 (41) 54) 53-45 (56 ) 33-14-9-7-10-15-33) 28-59-47 (34-16-11-11-8-12-12-17-34,35-18-22-37 (57-5) 23-19-35) 36-20-24-38 (58-6) 25-21-36 / h7-12,14-25-25,25,25,25,25,25,25,25,25,25-25,25,25-25,25,25-25,25,25-32,39-40,4 2,46H, 13,27-28H2,1-6H3, (h, 50,51,53,56) / t39-, 40-, 42-, 46-, 63? / M1 / S1
INCHI Key
VCCMVPDSLHFCBB-MSIRFHFKSA-N
1 Isem ieħor għal din is-sustanza
Adenosine,N-benzoyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmethyl] -2 ′ -deoxy-2 ′ -fluoro-, 3 ′ - [2-cyanoethyl bis (1-methylethyl) fosfru amidite] (9CI)
Proprjetajiet disponibbli
Bijoloġiku
Kimika
Lipinski
Struttura relatata
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 6590 | pH 1; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.76 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.00 x 106 | 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 | 1.00 x 106 | pH 8; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 3.43 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 99100 | 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)
| Sors tal-Kundizzjoni tal-Valur tal-Propjetà |
| KOC 2590 pH 1; Temp: 25 ° C (1) ACD |
| KOC 69100 ph 2; Temp: 25 ° C (1) ACD |
| KOC 6.96 x 105 ph 3; Temp: 25 ° C (1) ACD |
| KOC 2.16 x 106 ph 4; Temp: 25 ° C (1) ACD |
| KOC 2.70 x 106 pH 5; Temp: 25 ° C (1) ACD |
| KOC 2.71 x 106 pH 6; Temp: 25 ° C (1) ACD |
| KOC 2.23 x 106 pH 7; Temp: 25 ° C (1) ACD |
| KOC 8.20 x 105 pH 8; Temp: 25 ° C (1) ACD |
| KOC 1.35 x 105 pH 9; Temp: 25 ° C (1) ACD |
| KOC 39000 pH 10; Temp: 25 ° C (1) ACD |
| LogD 6.29 pH 1; Temp: 25 ° C (1) ACD |
| LOGD 7.71 pH 2; Temp: 25 ° C (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| logd | 8.71 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 9.20 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 9.30 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 9.30 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 9.22 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 8.79 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 8.00 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 7.46 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 9.317 ± 0.714 | Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika tal-massa | 3.4 x 10-6 g / l | Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 3.6 x 10-3 g / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.3 x 10-4 g / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.3 x 10-5 g / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.3 x 10-6 g / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 3.4 x 10-6 g / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 3.4 x 10-6 g / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.1 x 10-6 g / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.1 x 10-5 g / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 6.9 x 10-5 g / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 2.5 x 10-4 g / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.1 x 10-6 g / l | PH tal-ilma mhux imballat 7.00; Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika molari | 3.9 x 10-9 mol / l | Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 4.1 x 10-6 mol / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.5 x 10-7 mol / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.5 x 10-8 mol / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 4.9 x 10-9 mol / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 3.9 x 10-9 mol / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 3.9 x 10-9 mol / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 4.7 x 10-9 mol / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.3 x 10-8 mol / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 7.9 x 10-8 mol / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.8 x 10-7 mol / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità molari | 4.7 x 10-9 mol / l | PH tal-ilma mhux imballat 7.00; Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 875.92 | ||
| 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 | 18 | (1) ACD | |
| H aċċettaturi | 14 | (1) ACD | |
| H donaturi | 1 | (1) ACD | |
| H Donatur / Aċċettatur Somma | 15 | (1) ACD | |
| logp | 9.317 ± 0.714 | Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 875.92 |
(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 | 169 A2 | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
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