![C39H37N5O7 adenosine, N-Benzoyl-5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′-O-methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H37N5O7 adenosine, N-Benzoyl-5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′- O-methyl- (9CI, ACI) immaġni dehru](https://cdn.globalso.com/nvchem/Substance-Detail.jpg)
C39H37N5O7 adenosine, N-Benzoyl-5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′-O-methyl- (9CI, ACI)
| Propjetajiet fiżiċi ewlenin | Valur | Kundizzjoni |
| Piż molekulari | 687.74 | - |
| Densità (prevista) | 1.32 ± 0.1 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr |
| PKA (imbassar) | 7.87 ± 0.43 | L-iktar temp aċiduż: 25 ° C |
Tbissem kanoniku O = C (NC1 = NC = NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C (O) C3OC) C = 7C = CC = CC7
Tbissim isomeriku
C (oc [c @ h] 1o [c @ h] ([c @ h] (oc) [c @@ h] 1o) n2c = 3c (n = c2) = c (nc (= o) c4 = cc = cc = cc = c4) n = cn3) (c5 = cc = c (oc) c = c5) (c6 = cc = c (oc) c = c6) c7 =
Inchi
INCHI = 1S / C39H37N5O7 / C1-47-29-18-14-27 (15-19-29) 39 (26-12-8-5-9-13-13-13-26,28-28-16-20-20-30 (48-2) 21-17-28) 21-17-28) 50-22-31-33 (45) 34 (49-3) 38 (51- 31) 44-24-42-32-35 (40-23-41-36 (32) 44) 43-37 (46) 25-10-6-4-7-11-25 / H4-2123-24,31,33-34,38,45H, 22H2,1-3H3, (H, 40,41,43,46)
34-, 38- / M1 / S1
INCHI Key
Sarhdaqoznkzcc-cjegosrcsa-n
1 Isem ieħor għal din is-sustanza
N-Benzoyl-5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′-O-methyladenosine (ACI)
Spettri disponibbli
1H NMR
13C NMR
Massa
Proprjetajiet disponibbli
Bijoloġiku
Kimika
Densità
Lipinski
Struttura relatata
Bijoloġiku
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 47800 | pH 1; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.63 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 2.16 x 105 | pH 3; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 2.23 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 2.23 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 2.18 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.79 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 64900 | pH 8; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 10600 | pH 9; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 3110 | 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 | 50200 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 1.71 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 2.26 x 105 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 2.34 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 2.34 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 2.29 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 1.88 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 68000 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 11200 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 3260 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 6.67 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 7.21 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 7.33 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 7.34 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 7.34 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 7.33 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 7.25 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 6.80 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 6.02 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 5.49 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 7.344 ± 0.723 | Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika tal-massa | 2.7 x 10-6 g / l | Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.2 x 10-5 g / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 3.7 x 10-6 g / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 2.8 x 10-6 g / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 2.8 x 10-6 g / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 2.8 x 10-6 g / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 2.8 x 10-6 g / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 3.4 x 10-6 g / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 9.6 x 10-6 g / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.7 x 10-5 g / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.9 x 10-4 g / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 3.4 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 | 1.8 x 10-8 mol / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 5.4 x 10-9 mol / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 4.1 x 10-9 mol / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 4.0 x 10-9 mol / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 4.0 x 10-9 mol / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità molari | 4.0 x 10-9 mol / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 4.9 x 10-9 mol / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.4 x 10-8 mol / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 8.3 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 |
| Solubilità molari | 4.9 x 10-9 mol / l | PH tal-ilma mhux imballat 7.00; Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 687.74 | ||
| PKA | 7.87 ± 0.43 | L-iktar temp aċiduż: 25 ° C | (1) ACD |
| PKA | 1.39 ± 0.10 | 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 | 1.32 ± 0.1 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr | (1) ACD |
| Volum molari | 518.5 ± 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 | 12 | (1) ACD | |
| H aċċettaturi | 12 | (1) ACD | |
| H donaturi | 2 | (1) ACD | |
| H Donatur / Aċċettatur Somma | 14 | (1) ACD | |
| logp | 7.344 ± 0.723 | Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 687.74 |
(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 | 139 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
Spettri disponibbli
13C NMR
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