![C34H39N3O8 Cytidine, 5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′-O- (2-methox yethyl) -5-methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 Cytidine, 5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′-O- (2-methox yethyl) -5-methyl- (9CI, ACI) immaġni dehru](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 Cytidine, 5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′-O- (2-methox yethyl) -5-methyl- (9CI, ACI)
| Propjetajiet fiżiċi ewlenin | Valur | Kundizzjoni |
| Piż molekulari | 617.69 | - |
| Punt tat-togħlija (imbassar) | 762.6 ± 70.0 ° C. | Agħfas: 760 Torr |
| Densità (prevista) | 1.27 ± 0.1 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr |
| PKA (imbassar) | 13.31 ± 0.70 | L-iktar temp aċiduż: 25 ° C |
Tbissem kanoniku O = C1n = C (N) C (= CN1C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2OCCOC) C.
Smiles isomeric C (oc [c @ h] 1o [c @ h] ([c @ h] (occoc) [c @@ h] 1o) n2c (= o) n = c (n) c (c) = c2) (c3 = cc = c (oc) c = c3) (c4 = cc = c (oc) c = c4) c5 = cc = cc = c5
Inchi
INCHI = 1S / C34H39N3O8 / C1-22-20-37 (33 (39) 36-31 (22) 35) 32-30 (43-19-19-18-40-2) 29 (38) 28 (45-32) 21-44-34 (23-6-6-6-5-7-7-9-23,24-10-10-26 (4 1-3) 15-11-24) 25-12-16-27 (42-4) 17-13-25 / H5-17,20,20,28-30,32,38H, 18-19,21H2,1-4H3, (H2,35,36,39) / T28-, 29-, 30-, 32- / m1 / s1
INCHI Key
LyktvjjxzQtnpk-pbamlimusa-n
24 ismijiet oħra għal din is-sustanza
5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′-O- (2-metoxyethyl) -5-methylcytidine (ACI); 11: PN: US20030170636 Paġna: 17 RNA mitluba; 12: PN: US20030211606 Paġna: 18 ddikjarat R Na; 12: PN: US20030212017 Paġna: 19 mitluba R Na; 14: PN: US20040005569 PAG E: 21 mitluba R Na; 15: PN: US20040005565 Paġna: 17-22 RNA mitluba; 15: PN: US20040005570 Paġna: 19 mitluba R Na; 15: PN: U S20040006030 Paġna: 22 ddikjara R NA; 15: PN: US20040014048 Paġna: 19 mitluba R Na; 16: PN: US20030171313 Paġna: 9 RNA mitluba; 16: PN: US20030198965 Paġna: 19 mitluba R Na; 16: PN: US20040014047 Paġna: 19 mitluba R Na; 16: PN: US20040014049 Paġna:
19 ddikjarat l-RNA; 17: PN: US20040014051 Paġna: 21 mitluba R Na; 17: PN: US20040014699 Paġna: 19 mitluba R Na; 17: PN: w
O03106645 Paġna: 69 ddikjarat R Na; 18: PN: US20040006029 Paġna: 22 ddikjara R NA; 2′-O-Methoxyethyl-5′-O-Dimethoxytrityl-5- Methylcytidine; 58: PN: US20030166592 Paġna: 15 ddikjarat R Na; 5: PN: WO2005006958 Paġna: 61 mitluba R Na; 7: PN: WO20050 07825 Paġna: 61 mitluba R Na; 82: PN: US20040171566 Paġna: 18 ddikjarat R Na; 89: PN: US20040005707 Paġna: 19 mitluba R Na; 9: PN: WO03084478 Paġna: 56 mitluba r na
| Proprjetajiet disponibbli |
| Bijoloġiku |
| Kimika |
| Densità |
| Lipinski |
| Struttura relatata |
| Termali |
Bijoloġiku
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 1.56 | pH 1; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.99 | pH 2; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 6.19 | pH 3; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 38.0 | pH 4; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 116 | pH 5; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 146 | pH 6; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 150 | pH 7; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 151 | pH 8; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 151 | pH 9; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 151 | 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 | 13.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 16.6 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 51.8 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 318 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 966 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 1220 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 1260 | pH 7; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 1260 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 1260 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 1260 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 1.18 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 1.29 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 1.78 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 2.57 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 3.05 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 3.16 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 3.17 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 3.17 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 3.17 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.17 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 3.169 ± 0.598 | Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika tal-massa | 5.2 x 10-3 g / l | Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.51 g / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.40 g / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.13 g / L. | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 0.020 g / L. | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 6.8 x 10-3 g / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.4 x 10-3 g / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.3 x 10-3 g / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.2 x 10-3 g / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.2 x 10-3 g / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.2 x 10-3 g / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.3 x 10-3 g / l | PH tal-ilma mhux imballat 7.05; Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika molari | 8.4 x 10-6 mol / l | Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 8.2 x 10-4 mol / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 6.4 x 10-4 mol / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.1 x 10-4 mol / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 3.3 x 10-5 mol / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.1 x 10-5 mol / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità molari | 8.7 x 10-6 mol / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 8.5 x 10-6 mol / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 8.4 x 10-6 mol / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 8.4 x 10-6 mol / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 8.4 x 10-6 mol / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 8.5 x 10-6 mol / l | PH tal-ilma mhux imballat 7.05; Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 617.69 | ||
| PKA | 13.31 ± 0.70 | L-iktar temp aċiduż: 25 ° C | (1) ACD |
| PKA | 4.58 ± 0.10 | L-iktar temp bażiku: 25 ° C | (1) ACD |
| Pressjoni tal-fwar | 1.89 x 10-24 Torr | Temp: 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 | 1.27 ± 0.1 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr | (1) ACD |
| Volum molari | 483.8 ± 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 | 14 | (1) ACD | |
| H aċċettaturi | 11 | (1) ACD | |
| H donaturi | 3 | (1) ACD | |
| H Donatur / Aċċettatur Somma | 14 | (1) ACD | |
| logp | 3.169 ± 0.598 | Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 617.69 |
(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 | 134 A2 | (1) ACD | |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Termali
| Proprjetà | Valur | Kundizzjoni | Sors |
| Punt tat-togħlija | 762.6 ± 70.0 ° C. | Agħfas: 760 Torr | (1) ACD |
| Entalpija tal-vaporizzazzjoni | 116.53 ± 3.0 kJ / mol | Agħfas: 760 Torr | (1) ACD |
| Punt flash | 415.0 ± 35.7 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
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