![C50H60N5O10P Cytidine, N-Benzoyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmethyl] -2 ′ -O- (2-metoxyethyl) - 5-methyl-, 3 ′ - [2-cyanoethyl N, N-Bis (1-methyletiliku) fosforamadite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P Cytidine, N-Benzoyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmethyl] -2 ′ -O- (2-metoxyethyl) - 5-methyl-, 3 ′ - [2-cyanoethyl N, N-Bis (1-methyletiliku) fosforamadite] (ACI)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Cytidine, N-Benzoyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmethyl] -2 ′ -O- (2-metoxyethyl) - 5-methyl-, 3 ′ - [2-cyanoethyl N, N-Bis (1-methyletiliku) fosforamadite] (ACI)
Numru tar-Reġistru CAS
163759-94-2
| Propjetajiet fiżiċi ewlenin | Valur | Kundizzjoni |
| Piż molekulari | 922.01 | - |
| PKA (imbassar) | 8.59 ± 0.40 | L-iktar temp aċiduż: 25 ° C |
Tbissim kanoniku
N # cccop (oc1c (oc (n2c = c (c (= nc2 = o) nc (= o) c = 3c = cc = cc3) c) c1occoc) coc (c = 4c = cc4) (c5 = cc = c (oc) c = c5) c6 = cc = c (oc) c = c 6) n (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 (= o) n = c (nc (= o) c3 = cc = cc = c3) c (c) = c2) (c2) (c2) (c2) (c2) (c2) (c2) (c2) (c2) (c2) (c2) (c2) (c2) ( = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inchi
INCHI = 1S / C50H60N5O10P / C1-34 (2) 55 (35 (3) 4) 66 (63-29-15-28-51) 65-44-43 (33-62-50 (38-18-13-13-10-10-14-19-38,39-20-20-24-41 (59-7) 25-21-39 ) 40-22-26-42 (60-8) 27-23-40) 64-48 (45 (44) 61-31-31-58-6) 54-32-36 (5) 46 (53-49 (54 (54 (54) 57) 52-47 (56) 37-16-16-16-16-16-16-16-16-16-16-16-16-16-16-16-16-16-16-16-16-16-16-16-16-16-16-16-16-16-16-11-9-12-17-37 / H9-14,16-27,32,34 35,43-45,48H, 15,29-31,33H2,1-8H3, (H, 52,53,56,57) / T43-, 44-, 45-, 48-, 66? / M1 / S1
INCHI Key
Fligvmliidvdsn-gicdfoiuia-n
26 Ismijiet oħra għal din is-sustanza
Cytidine,N-benzoyl-5 ′ -O- [bis (4-metoxyphenyl) fenilmetil] -2 ′ -O- (2-metoxyethyl) - 5-methyl-, 3 ′ - [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI); 12: PN: WO03084478 Paġna: 57 DNA mitlub; 14: PN: US20030170636 Paġna: 17 DNA mitlub; 15: PN: u
S20030211606 Paġna: 19 ddikjara d-DNA; 15: PN: US20030212017 Paġna: 19 DNA mitlub; 16: PN: US20040005569 Paġna: 22 DNA mitluba; 17: PN: US20040006030 Paġna: 23 DNA mitlub; 17: PN: US20040014049 Paġna: 20 DNA mitluba; 18: PN: US20040014047 PAG E: 20 DNA mitlub; 18: PN: US20040014048 Paġna: 20 DNA mitluba; 18: PN: US20040014050 Paġna: 20 DNA mitluba; 19: PN: u
S20030171313 Paġna: 9 DNA mitluba; 19: PN: US20030198965 Paġna: 20 DNA mitluba; 19: PN: US20040005565 Paġna: 17-22 DNA mitluba; 19: PN: US20040005570 Paġna: 20 DNA mitluba; 19: PN: US20040014051 Paġna: 22 DNA mitlub; 20: PN: US20040014699 PAG
E: 20 DNA mitlub; 21: PN: US20040006029 Paġna: 23 DNA mitlub; 21: PN: WO03106645 Paġna: 72 DNA mitlub; 61: PN: US20030
166592 Paġna: 15 DNA mitlub; 7: PN: WO2005006958 Paġna: 62 DNA mitlub; 84: PN: US20040171566 Paġna: 18 DNA mitlub; 92:
PN: US20040005707 Paġna: 20 DNA mitluba; 9: PN: WO2005007825 Paġna: 62 DNA mitlub;N4-benzoyl-2 ′ -O-Methoxyethyl-5-O- dimethoxytrityl-5-methylcytidine-3 ′ -phosphoramidite;N4-benzoyl-2 ′ -O-Methoxyethyl-5 ′ -O-Dimethoxytrityl-5-methylcytidine-3 ′ - amidite
Spettri disponibbli
13 C NMR
Etero NMR
Proprjetajiet disponibbli
Bijoloġiku
Kimika
Lipinski
Struttura relatata
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 171 | pH 1; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1250 | pH 2; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 47600 | pH 3; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 6.44 x 105 | 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 | 7.79 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.63 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 30800 | 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 | 106 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 773 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 29500 | pH 3; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 3.99 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 8.02 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 8.70 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 8.16 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Koc | 4.83 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 1.01 x 105 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 19100 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.48 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 5.34 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 6.92 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 8.06 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 8.36 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 8.39 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 8.37 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 8.14 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 7.46 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 6.73 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 8.401 ± 0.723 | Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika tal-massa | 1.4 x 10-4 g / l | Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.1 g / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.16 g / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.1 x 10-3 g / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 3.0 x 10-4 g / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.5 x 10-4 g / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.4 x 10-4 g / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.5 x 10-4 g / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 2.5 x 10-4 g / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.2 x 10-3 g / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 6.3 x 10-3 g / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.5 x 10-4 g / l | PH ta 'ilma mhux imballat 6.97; Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika molari | 1.5 x 10-7 mol / l | Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.2 x 10-3 mol / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità molari | 1.7 x 10-4 mol / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 4.4 x 10-6 mol / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 3.2 x 10-7 mol / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.6 x 10-7 mol / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.5 x 10-7 mol / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.6 x 10-7 mol / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.7 x 10-7 mol / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.3 x 10-6 mol / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 6.8 x 10-6 mol / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.6 x 10-7 mol / l | PH ta 'ilma mhux imballat 6.97; Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 922.01 | ||
| PKA | 8.59 ± 0.40 | L-iktar temp aċiduż: 25 ° C | (1) ACD |
| PKA | 3.87 ± 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 | 22 | (1) ACD | |
| H aċċettaturi | 15 | (1) ACD | |
| H donaturi | 1 | (1) ACD | |
| H Donatur / Aċċettatur Somma | 16 | (1) ACD | |
| logp | 8.401 ± 0.723 | Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 922.01 |
(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 | 176 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
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