![C41H41N5O8 Adenosine, N-Benzoyl-5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′-O- (2-metoxyethyl) - (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H41N5O8 adenosine, N-benzoyl-5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′- O- (2-metoxyethyl) - (9CI, ACI) immaġni dehru](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine.jpg)
C41H41N5O8 Adenosine, N-Benzoyl-5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′-O- (2-metoxyethyl) - (9CI, ACI)
| Propjetajiet fiżiċi ewlenin | Valur | Kundizzjoni |
| Piż molekulari | 731.79 | - |
| Punt ta 'tidwib (sperimentali) | 119-121 ° C. | - |
| Densità (prevista) | 1.31 ± 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) C3OCCOC) C = 7C = CC = CC7
Tbissim isomeriku
C (oc [c @ h] 1o [c @ h] ([c @ h] (occoc) [c @@ h] 1o) n2c = 3c (n = c2) = c (nc (= o) c4 = cc = cc = c4) n = cn3) (c5 = cc = c (oc) c = c5) (c6 = cc = c (oc) c
= C6) c7 = cc = cc = c7
Inchi
INCHI = 1S / C41H41N5O8 / C1-49-22-23-52-36-35 (47) 33 (54-40 (36) 46-26-44-44-34-37 (42-25-43-38 (34) 46) 45-39 (48) 27-10-6-4-7-11-27) 41 (28-12-8-5-5-9-13-28,29-14-18-31 (50-2) 19-15-29) 30-16-20-32 (51-3) 21-17-30 / H4-21,25-26,33,35-36,40,47H, 22-24h2,1-3h3, (H, 42,43,45,48) / t33-, 35-, 36-, 40- / m1 / s1
INCHI Key
KevmxGNtKpSMC-MUMPVVASSA-N
16 Ismijiet oħra għal din is-sustanza
N-benzoyl-5′-O- [bis (4-metoxyphenyl) fenilmetil] -2′-O- (2-metoxyethyl) adenosine (ACI); 17: PN: US20030211606 Paġna: 19 sekwenza mitluba; 18: PN: US20040005569 Paġna: 22 sekwenza mitluba; 20: PN: US20040006030 Paġna: 23 sekwenza mitluba; 20: PN: US20040014047 Paġna: 21 sekwenza mitluba; 20: PN: US20040014049 Paġna: 21 sekwenza mitluba; 21: PN: US20040005570 PAG
E: 20 sekwenza mitluba; 21: PN: US20040014048 Paġna: 21 sekwenza mitluba; 21: PN: US20040014050 Paġna: 20 sekwenza mitluba; 22: PN: US20040005565 Paġna: 17-22 sekwenza mitluba; 22: PN: US20040014051 Paġna: 23 sekwenza mitluba; 23: PN: US20040 014699 Paġna: 20 sekwenza mitluba; 24: PN: US20040006029 Paġna: 23 sekwenza mitluba; 24: PN: WO03106645 Paġna: 73 sekwenza mitluba; 5′-dimethoxytrityl-2′-O- (2-metoxyethyl) -N6-benzoyl adenosine; 95: PN: US20040005707 Paġna: 20 sekwenza mitluba
| Proprjetajiet disponibbli |
| Termali |
Termali
| Proprjetà | Valur | Kundizzjoni | Sors |
| Punt ta 'tidwib | 119-121 ° C. | (1) CAS | |
(1) Penjarla, Srishylam; Nukleosidi, nukleotidi u aċidi nuklejiċi, (2018), 37 (4), 232-247, caplus
Spettri disponibbli
1H NMR
13C NMR
| Proprjetajiet disponibbli |
| Bijoloġiku |
| Kimika |
| Densità |
| Lipinski |
| Struttura relatata |
Bijoloġiku
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 31700 | pH 1; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.08 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.43 x 105 | pH 3; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.48 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.48 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.45 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.19 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 43000 | pH 8; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 7050 | pH 9; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 2060 | 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 | 37400 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 1.28 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 1.69 x 105 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 1.74 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 1.74 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 1.71 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 1.40 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Koc | 50700 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 8320 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 2430 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 6.44 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 6.97 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 7.09 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 7.11 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 7.11 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 7.10 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 7.01 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 6.57 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 5.78 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 5.25 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 7.109 ± 0.766 | Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika tal-massa | 5.6 x 10-6 g / l | Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 2.6 x 10-5 g / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 7.3 x 10-6 g / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.8 x 10-6 g / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.6 x 10-6 g / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.6 x 10-6 g / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.7 x 10-6 g / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 7.0 x 10-6 g / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Solubilità tal-Massa | 1.9 x 10-5 g / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.2 x 10-4 g / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 4.0 x 10-4 g / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 7.0 x 10-6 g / l | PH tal-ilma mhux imballat 7.00; Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika molari | 7.6 x 10-9 mol / l | Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 3.6 x 10-8 mol / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.0 x 10-8 mol / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 7.9 x 10-9 mol / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 7.7 x 10-9 mol / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 7.7 x 10-9 mol / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 7.8 x 10-9 mol / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 9.6 x 10-9 mol / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.6 x 10-8 mol / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.6 x 10-7 mol / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 5.5 x 10-7 mol / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 9.5 x 10-9 mol / l | PH tal-ilma mhux imballat 7.00; Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 731.79 | ||
| 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 | 1.31 ± 0.1 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr | (1) ACD |
| Volum molari | 556.9 ± 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 | 15 | (1) ACD | |
| H aċċettaturi | 13 | (1) ACD | |
| H donaturi | 2 | (1) ACD | |
| H Donatur / Aċċettatur Somma | 15 | (1) ACD | |
| Proprjetà | Valur | Kundizzjoni | Sors |
| logp | 7.109 ± 0.766 | Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 731.79 |
(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 | 148 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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