![C42H52N5O9P Cytidine, N-acetyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmethyl] -2 ′ -o-metil-, 3 ′ - [2-cyanoethyl N, N-Bis (1-methylethyl) fosforamiditi] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C42H52N5O9P Cytidine, N-acetyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmetil] -2 ′ -o-metil-, 3 ′ - [2-cyanoethyl N, N-Bis (1-methylethyl) fosforamiditi] (ACI)](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine.png)
C42H52N5O9P Cytidine, N-acetyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmethyl] -2 ′ -o-metil-, 3 ′ - [2-cyanoethyl N, N-Bis (1-methylethyl) fosforamiditi] (ACI)
Numru tar-Reġistru CAS
199593-09-4
| Propjetajiet fiżiċi ewlenin | Valur | Kundizzjoni |
| Piż molekulari | 801.87 | - |
| PKA (imbassar) | 10.18 ± 0.20 | L-iktar temp aċiduż: 25 ° C |
Tbissim kanoniku
N # CCCOP (OC1C (OC (N2C = CC (= NC2 = O) NC (= O) C) C1OC) COC (C = 3C = CC3) (C4 = CC = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) N (C (C) C) C (C) C.
Tbissim isomeriku
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) (cc = cc = c (oc) c = c3) (c4 = cc = C (OC) C = C4) C5 = CC = CC = C5
Inchi
INCHI = 1S / C42H52N5O9P / C1-28 (2) 47 (29 (3) 4) 57 (54-26-12-24-43) 56-38-36 (55-40 (39 (38 (38) 52-8) 46-25-23-37 (44-30 (5) 48) 45-41 (46) 49) 27-53 -42 (31-13-10-9-11-11-14-31,32-15-19-34 (50-6) 20-16-32) 33-17-21-35 (51-7) 22-18-33 / H9-11,13-2323,2525,2528-29,36,38-40H, 12,26-26-27H2,1-8, ( H, 44,45,48,49) / t36-, 38-, 39-, 40-, 57? / M1 / S1
INCHI Key
WnWumipfloktez-uaqillrsa-n
1 Isem ieħor għal din is-sustanza
Cytidine,N-Acetyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmetil] -2 ′ -O-methyl-, 3 ′ - [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI)
Proprjetajiet disponibbli
Bijoloġiku
Kimika
Lipinski
Struttura relatata
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 4.77 | pH 1; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 50.1 | pH 2; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 2190 | pH 3; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 21700 | pH 4; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 35700 | pH 5; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 37800 | pH 6; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 37900 | pH 7; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 37300 | pH 8; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 31400 | pH 9; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 12300 | 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 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 |
| Proprjetà | Valur | Kundizzjoni | Sors |
| 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 |
| Solubilità intrinsika tal-massa | 1.8 x 10-4 g / l | Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.4 g / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.14 g / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 3.1 x 10-3 g / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 3.2 x 10-4 g / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.9 x 10-4 g / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.8 x 10-4 g / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.8 x 10-4 g / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.8 x 10-4 g / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 2.2 x 10-4 g / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.6 x 10-4 g / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.8 x 10-4 g / l | PH tal-ilma mhux imballat 7.00; Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika molari | 2.3 x 10-7 mol / l | Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.8 x 10-3 mol / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.7 x 10-4 mol / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 3.9 x 10-6 mol / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 4.0 x 10-7 mol / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.4 x 10-7 mol / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.3 x 10-7 mol / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.3 x 10-7 mol / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.3 x 10-7 mol / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.8 x 10-7 mol / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 7.0 x 10-7 mol / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.3 x 10-7 mol / l | PH tal-ilma mhux imballat 7.00; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Piż molekulari | 801.87 | ||
| PKA | 10.18 ± 0.20 | L-iktar temp aċiduż: 25 ° C | (1) ACD |
| PKA | 3.57 ± 0.20 | 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 | 6.329 ± 0.771 | Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 801.87 |
(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 | 167 A2 | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spettri disponibbli
1H NMR
13C NMR
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