![C33H35N3O8 Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) fenilmetil] -2′-O-O-metil- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H35N3O8 Cytidine, N-acetyl-5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′-O-o-metil- (9CI, ACI) immaġni dehru](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine.jpg)
C33H35N3O8 Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) fenilmetil] -2′-O-O-metil- (9CI, ACI)
| Propjetajiet fiżiċi ewlenin | Valur | Kundizzjoni |
| Piż molekulari | 601.65 | - |
| Densità (prevista) | 1.28 ± 0.1 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr |
| PKA (imbassar) | 10.19 ± 0.20 | L-iktar temp aċiduż: 25 ° C |
Tbissem kanoniku O = C1n = C (C = CN1C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2OC) NC (= O) C.
Smiles isomeric C (oc [c @ h] 1o [c @ h] ([c @ h] (oc) [c @@ h] 1o) n2c (= o) n = c (nc (c) = o) c = c2) (c3 = cc = c (oc) c = c3) (c4 = cc = c (oc) c = c4) c5 = cc = c5
Inchi
INCHI = 1S / C33H35N3O8 / C1-21 (37) 34-28-18-18-19-36 (32 (39) 35-28) 31-30 (42-4) 29 (38) 27 (44-31) 20-43-33 (22-8-5-5-5-5-5-5-5-5-5-5-5-7-7-9-223-10-14-25 (40-2) 15-11-23) 24-12-16-26 (41-3) 17-13-24 / H5-19,27,27,29-31,38H, 20H2,1-4H3, (h, h, 34,35,37,39) / t27-, 29-, 30-, 31- / m1 / s1
INCHI Key
FUNUHOJILDNELQ-PMFUCWTESA-N
1 Isem ieħor għal din is-sustanza
N-acetyl-5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′-O-methylcytidine (ACI)
| Proprjetajiet disponibbli |
| Bijoloġiku |
| Kimika |
| Densità |
| Lipinski |
| Struttura relatata |
Bijoloġiku
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 8.87 | pH 1; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 27.8 | pH 2; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 171 | pH 3; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 515 | pH 4; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 650 | pH 5; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 668 | pH 6; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 668 | pH 7; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 657 | pH 8; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 560 | pH 9; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 229 | 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)
Kimika
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 48.6 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 152 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 935 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 2820 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 3560 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 3660 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 3660 | pH 7; Temp: 25 ° C. | (1) ACD |
| Koc | 3600 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 3070 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 1250 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 2.14 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 2.64 | pH 2; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| logd | 3.43 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 3.91 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.01 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.02 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.02 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.01 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 3.94 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.55 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 4.021 ± 0.768 | Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika tal-massa | 1.3 x 10-3 g / l | Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.10 g / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.032 g / L. | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.2 x 10-3 g / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.7 x 10-3 g / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.4 x 10-3 g / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.3 x 10-3 g / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.3 x 10-3 g / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.3 x 10-3 g / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.6 x 10-3 g / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 3.9 x 10-3 g / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.3 x 10-3 g / l | PH ta 'ilma mhux imballat 6.99; Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika molari | 2.2 x 10-6 mol / l | Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.7 x 10-4 mol / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 5.3 x 10-5 mol / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 8.6 x 10-6 mol / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.9 x 10-6 mol / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.3 x 10-6 mol / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.2 x 10-6 mol / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.2 x 10-6 mol / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.2 x 10-6 mol / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.6 x 10-6 mol / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 6.4 x 10-6 mol / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità molari | 2.2 x 10-6 mol / l | PH ta 'ilma mhux imballat 6.99; Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 601.65 | ||
| PKA | 10.19 ± 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)
Densità
| Proprjetà | Valur | Kundizzjoni | Sors |
| Densità | 1.28 ± 0.1 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr | (1) ACD |
| Volum molari | 466.5 ± 7.0 cm3 / mol | Temp: 20 ° C; Agħfas: 760 Torr | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Proprjetà | Valur | Kundizzjoni | Sors |
| Bonds li jduru liberament | 11 | (1) ACD | |
| H aċċettaturi | 11 | (1) ACD | |
| H donaturi | 2 | (1) ACD | |
| H Donatur / Aċċettatur Somma | 13 | (1) ACD | |
| logp | 4.021 ± 0.768 | Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 601.65 |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Struttura relatata
| Proprjetà | Valur | Kundizzjoni | Sors |
| Erja tal-wiċċ polari | 128 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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