C41H41N5O8 Adenosine, n-benzoyyl-5'-O- [BIS (4-metoxylhenchyl) phenylmethyl] -2'- O- O- (2-meto.sethyl) - (9ci, aci)
Fananana ara-batana lehibe | sarobidy | toe-javatra |
Lanjan'ny molekiola | 731.79 | - |
Melting Point (fanandramana) | 119-121 ° C | - |
Fahalemena (nambara) | 1.31 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (nambara) | 7.87 ± 0.43 | Ankamaroan'ny temps temp: 25 ° C |
Kanonika Smiles O = C (NC1 = NC = NC2 = CN2C3OC (COC (C = 4C = CC = C (OC) C = C (OC) C = C6) C (O) C3OCCOC) C = 7C = CC = CC7 = CC7
Mitsiky i Isomeric
C (OC [C @ avy] 1o [C @ h] ([C @@ H] (C @@ H] 1o) N2C = 3C (CC = CC)
= C6) C7 = CC = CC = C7
Inchi
Inchi = 1s / c41h41n5o8 / c1-49-22-23-52-36-35 (47) 33 (54-40 (36) 46-26-44-34-37 (42-25-43-38 (34-25-43-38 (34) 46) 45-39 (48 (48) 27-10-6-4-7-11-27) 24-53- 41 (28-12-8-5-9-13-28,29-14-18-31 (50-2) 19-15-20) 30-16-20-32 (51-3)
Inchi Key
Kevmxgndtkpsmc-mumpvvvma-n
16 anarana hafa ho an'ity zavatra ity
N-benzoyyl-5'-O- [BIS (4-methyphenyl) phenylmetheny 17: pn: Us20030211606 Pejy: 19 dia nilaza ny filaharana; 18: pn: Us20040005569 Pejy 22 voalaza fa filaharana; 20: pn: Us20040006030 Pejy: 23 voalaza fa filaharana; 20: pn: Us20040014047 pejy: 21 dia nitaky filaharana; 20: pn: Us20040014049 Pejy 21 voalaza: 21 21: pn: Us20040005570 pag
E: 20 dia nitaky ny filaharana; 21: pn: Us20040014048 Pejy: 21 voalaza fa filaharana; 21: pn: Us20040014050 Pejy: 20 dia nitaky ny filaharana; 22: pn: Us20040005565 Pejy: 17- 22 Namboarina ny filaharana; 22: pn: Us20040014051 Pejy: 23 dia nitaky ny filaharana; 23: pn: US20040 014699 pejy: 20 dia nitaky ny filaharana; 24: pn: Us20040006029 Pejy 23 no nitaky ny filaharana; 24: pn: Wo03106645 Pejy: 73 no nitaky ny filaharana; 5'-imethoxytrityl-2'-O- (2-metatraethyl) -N6-BenZoyl adenosine; 95: pn: Us20040005707 Pejy: 20 Namboarina
Fananana misy |
mafana |
mafana
NY FANANANA | sarobidy | toe-javatra | Source |
Melting Point | 119-121 ° C | (1) Cas |
(1) Penjarla, Srishylam; Ny nucleosides, asidra nukleotides & asidra nokleary, (2018), 37 (4), 232-247, Caplus
Spectra misy
1H NMR
13c NMR
Fananana misy |
niteraka |
simika |
hakitroky |
Lipinski |
Mifandraika mifandraika |
niteraka
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 31700 | PH 1; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.08 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.43 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.48 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.48 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.45 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.19 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 43000 | PH 8; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 7050 | PH 9; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 2060 | PH 10; Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
simika
NY FANANANA | sarobidy | toe-javatra | Source |
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 |
Solondrailala an-tsokosoko | 5.6 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
Supubility Mass | 2.6 x 10-5 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Supubility Mass | 7.3 x 10-6 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.8 x 10-6 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.6 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.6 x 10-6 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.7 x 10-6 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Supubility Mass | 7.0 x 10-6 g / l | PH 7; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Supubility Mass | 1.9 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.2 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.0 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Supubility Mass | 7.0 x 10-6 g / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Movra intrinsic solubility | 7.6 x 10-9 Mol / l | Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.6 x 10-8 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.0 x 10-8 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molar Solubility | 7.9 x 10-9 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Molar Solubility | 7.7 x 10-9 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molar Solubility | 7.7 x 10-9 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Molar Solubility | 7.8 x 10-9 Mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Molar Solubility | 9.6 x 10-9 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.6 x 10-8 Mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.6 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molar Solubility | 5.5 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molar Solubility | 9.5 x 10-9 mol / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 731.79 | ||
pka | 7.87 ± 0.43 | Ankamaroan'ny temps temp: 25 ° C | (1) ACD |
pka | 1.39 ± 0.10 | Ny ankamaroan'ny Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
hakitroky
NY FANANANA | sarobidy | toe-javatra | Source |
hakitroky | 1.31 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar volume | 556.9 ± 7.0 cm3 / mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Lipinski
NY FANANANA | sarobidy | toe-javatra | Source |
Fatorana rotatateble malalaka | 15 | (1) ACD | |
H Mpanaja | 13 | (1) ACD | |
H mpamatsy vola | 2 | (1) ACD | |
H Donor / Accas Sum | 15 | (1) ACD | |
NY FANANANA | sarobidy | toe-javatra | Source |
Logp | 7.109 ± 0.766 | Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 731.79 |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Mifandraika mifandraika
NY FANANANA | sarobidy | toe-javatra | Source |
Faritra misy polar | 148 A2 | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Spectra misy
1H NMR
13c NMR