C20H23N5O6 Adenosine, n-benzoyyl-2'-O- (2-meto.nethyl) - (9ci, aci)
| Fananana ara-batana lehibe | sarobidy | toe-javatra |
| Lanjan'ny molekiola | 429.43 | - |
| Fahalemena (nambara) | 1.53 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (nambara) | 13.15 ± 0.70 | Ankamaroan'ny temps temp: 25 ° C |
Canonical Smiles O = C (NC1 = NC = NC2 = CN2C3OC (CO) C (O) C (O) C3oCCOC) C = 4C = CC = CC = CC4
Isomeric Smiles o (CCOC) [c @@ h] 1 [C @@ H] (O [C @ co)
Inchi
Inchi = 1s / c20H23N5o6 / c1-29-7-8-30-16-15 (27) 13 (9-26) 31-20 (16) 25-11-23-14-14 (21-10-22-18 (14) 25) 24-19 (28) 12-5-3-2--12 / h2-6,1 0-11,15,15-16,0020,26-25H, 7-9H2,1H3, (H, 21,22,22,28,22,22,22,22,22,22,28,22,27, 16- / M1 / S1
Inchi Key
Rufjmcsvnngzfb-khtyjdqrsa-n
2 anarana hafa ho an'ity akora ity
N-benzoyl-2'-O- (2-metsoethyl) adenosine (aci); N6-benzoyl-2'-O- (2-meto.nethyl) adenosine
Spectra misy
1H NMR
13c NMR
| Fananana misy |
| niteraka |
| simika |
| hakitroky |
| Lipinski |
| Mifandraika mifandraika |
niteraka
| NY FANANANA | sarobidy | toe-javatra | Source |
| Factor Bioconcentration | 3.71 | PH 1; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 14.6 | PH 2; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 20.9 | PH 3; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 21.8 | PH 4; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 21.9 | PH 5; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 21.8 | PH 6; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 21.4 | PH 7; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 17.6 | PH 8; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 6.52 | PH 9; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 1.08 | 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 | 53.2 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 210 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 299 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 312 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 314 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 313 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 306 | PH 7; Temp: 25 ° C | (1) ACD |
| Koc | 253 | PH 8; Temp: 25 ° C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 93.5 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 15.5 | PH 10; Temp: 25 ° C | (1) ACD |
| LogD | 1.30 | PH 1; Temp: 25 ° C | (1) ACD |
| LogD | 1.90 | PH 2; Temp: 25 ° C | (1) ACD |
| LogD | 2.05 | PH 3; Temp: 25 ° C | (1) ACD |
| LogD | 2.07 | PH 4; Temp: 25 ° C | (1) ACD |
| LogD | 2.07 | PH 5; Temp: 25 ° C | (1) ACD |
| LogD | 2.07 | PH 6; Temp: 25 ° C | (1) ACD |
| LogD | 2.06 | PH 7; Temp: 25 ° C | (1) ACD |
| LogD | 1.98 | PH 8; Temp: 25 ° C | (1) ACD |
| LogD | 1.54 | PH 9; Temp: 25 ° C | (1) ACD |
| LogD | 0.76 | PH 10; Temp: 25 ° C | (1) ACD |
| Logp | 2.085 ± 0.689 | Temp: 25 ° C | (1) ACD |
| Solondrailala an-tsokosoko | 0.030 g / l | Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.17 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.0429 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.030 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.029 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.029 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.029 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.029 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.036 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.094 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.60 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.029 g / l | Rano tsy voaroy 6,38; Temp: 25 ° C | (1) ACD |
| Movra intrinsic solubility | 7.0 x 10-5 mol / l | Temp: 25 ° C | (1) ACD |
| Molar Solubility | 3.9 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 1.00 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 7.0 x 10-5 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 6.7 x 10-5 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 6.7 x 10-5 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 6.7 x 10-5 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Molar Solubility | 6.8 x 10-5 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 8.3 x 10-5 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 2.2 x 10-4 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-3 Mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 6.7 x 10-5 mol / l | Rano tsy voaroy 6,38; Temp: 25 ° C | (1) ACD |
| Lanjan'ny molekiola | 429.43 | ||
| pka | 13.15 ± 0.70 | Ankamaroan'ny temps temp: 25 ° C | (1) ACD |
| pka | 8.80 ± 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 | 1.53 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar volume | 280.3 ± 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 | 9 | (1) ACD | |
| H Mpanaja | 11 | (1) ACD | |
| H mpamatsy vola | 3 | (1) ACD | |
| H Donor / Accas Sum | 14 | (1) ACD | |
| Logp | 2.085 ± 0.689 | Temp: 25 ° C | (1) ACD |
| Lanjan'ny molekiola | 429.43 |
(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 | 141 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
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