C50H58N7O9P Adenosine, N-Benzoyl-5 '-O- [BIS (4-metylhonyl) phenylmethyl] -2' - O- (2-metatraethyl) -, 3 '- [2-Methoxyl
Laharana fisoratana anarana CAS
251647-53-7
H302
Fananana ara-batana lehibe | sarobidy | toe-javatra |
Lanjan'ny molekiola | 932.01 | - |
PKA (nambara) | 7.87 ± 0.43 | Ankamaroan'ny temps temp: 25 ° C |
Tsiky kanonika
N # CCCOP (OC1C (OC (N2C = NC = 3C (= NC = NC32) NC (= O) C = COC (C = 5C = CC = CC = CC = C (OC) C = C (OC) C = C (OC) C. C6 = CC = C (OC) C = c7) n (c (c (c) c) c (c) c
Mitsiky i Isomeric
C (OC [c @@ h] 1 [c @@ h] (n (c (c (c (c (c (n = CC = C (OC) C = C5)
Inchi
Inchi = 1s / c50h58n7o9p / c1-34 (2) 57 (35 (3) 4) 67 (64-28-14-27-51) 66-44-5 (37-17-12-9-13-19-27,70 (60-6) 24-20-38) 3 9-21-25-41 (61-7) 26-22-39) 65-49 (45 (44) 62-30-29-49-5) 56-33-54-43-46 (52-32-53-47 (43) 56) 55-48 (58) 36-15-10-8-11-16-36 / h8-13,5-26 32-35,44,4445 4,9H, 14,28-31H2,1-7H3, (H, 52,535555555555555555555555555555555555555555555555555555) / t42- 44- 45-, 45-, 45-, 45-5-, 457-? / M1 / S1
Inchi Key
Vpbybqbhlyrlhg-hdmawcrfsa-n
16 anarana hafa ho an'ity zavatra ity
Adenosine,N-benzoyl-5 '-O- [bis (4-metoxylhenchyl) phenylmethyl] -2 '-O- (2-Movesxyethyl) -, 3 '- [2-cyanoethyl bis (1-methylhyl)
phosphoramidite] (9ci); 16: pn: Us20030211606 Pejy: 19 dia nilaza ny filaharana; 16: pn: Us20030212017 pejy: 20 dia nitaky ny filaharana; 17: pn: Us20040005569 Page: 22 dia nilaza ny filaharana; 19: pn: Us20040006030 Pejy: 23 voalaza fa filaharana; 19: pn: Us20040014047
Pejy: 21 dia nilaza ny filaharana; 19: pn: Us20040014049 Pejy: 21 voalaza fa ny filaharana; 20: pn: Us20040005570 pejy: 20 dia nilaza
filaharana; 20: pn: Us20040014048 Pejy: 21 voalaza fa sequence; 20: pn: Us20040014050 Pejy: 20 dia nitaky ny filaharana; 21: pn: u
S20040005565 Pejy: 17- 22 dia nitaky ny filaharana; 21: pn: Us20040014051 Pejy: 23 dia nitaky ny filaharana; 22: pn: Us20040014699 Pejy: 20 dia nitaky ny filaharana; 23: pn: Us20040006029 Pejy 23 voalaza fa misy filaharana; 23: pn: Wo03106645 Pejy: 73 no nitaky ny filaharana; 94: P N: Us20040005707 Pejy: 20 Namboarina ny filaharana
Spectra misy
1 h nmr
13 C NMR
Hetero nmr
Fananana misy
niteraka
simika
Lipinski
Mifandraika mifandraika
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 2680 | PH 1; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 71500 | PH 2; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 7.21 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 6; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 8.48 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.39 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 40300 | PH 10; Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 1360 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 36300 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 3.66 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 1.13 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 1.42 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 1.42 x 106 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 1.17 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 4.30 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 70800 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 20500 | PH 10; Temp: 25 ° C | (1) ACD |
LogD | 5.77 | PH 1; Temp: 25 ° C | (1) ACD |
LogD | 7.20 | PH 2; Temp: 25 ° C | (1) ACD |
LogD | 8.20 | PH 3; Temp: 25 ° C | (1) ACD |
LogD | 8.69 | PH 4; Temp: 25 ° C | (1) ACD |
LogD | 8.79 | PH 5; Temp: 25 ° C | (1) ACD |
LogD | 8.79 | PH 6; Temp: 25 ° C | (1) ACD |
LogD | 8.71 | PH 7; Temp: 25 ° C | (1) ACD |
LogD | 8.27 | PH 8; Temp: 25 ° C | (1) ACD |
LogD | 7.49 | PH 9; Temp: 25 ° C | (1) ACD |
LogD | 6.95 | PH 10; Temp: 25 ° C | (1) ACD |
Logp | 8.803 ± 0.766 | Temp: 25 ° C | (1) ACD |
Solondrailala an-tsokosoko | 5.4 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.051 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.9 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.9 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Supubility Mass | 6.0 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.8 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.8 x 10-5 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.8 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.6 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Supubility Mass | 9.3 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Supubility Mass | 3.6 x 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.7 x 10-5 g / l | Rano tsy voaroy 6 6,97; Temp: 25 ° C | (1) ACD |
Movra intrinsic solubility | 5.8 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Molar Solubility | 5.5 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.0 x 10-6 Mol / l | PH 2; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Molar Solubility | 2.0 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Molar Solubility | 6.4 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molar Solubility | 5.1 x 10-8 Mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Molar Solubility | 5.1 x 10-8 Mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Molar Solubility | 6.2 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.7 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.0 x 10-6 Mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.9 x 10-6 Mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molar Solubility | 6.1 X 10-8 MOL / L | Rano tsy voaroy 6 6,97; Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 932.01 | ||
pka | 7.87 ± 0.43 | Ankamaroan'ny temps temp: 25 ° C | (1) ACD |
pka | 3.45 ± 0.70 | 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)
NY FANANANA | sarobidy | toe-javatra | Source |
Fatorana rotatateble malalaka | 22 | (1) ACD | |
H Mpanaja | 16 | (1) ACD | |
H mpamatsy vola | 1 | (1) ACD | |
H Donor / Accas Sum | 17 | (1) ACD | |
Logp | 8.803 ± 0.766 | Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 932.01 |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
NY FANANANA | sarobidy | Loharano fepetra |
Faritra misy polar | 187 A2 | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Spectra misy
1 h nmr
13 C NMR
Loharano fanambarana momba ny kaonty Hazard | |
H302 manimba raha mitelina | Eropeana Eropeana Agency Agency (ECHA) fanasokajiana & marika Inventory - Fampandrenesana fampahafantarana sy fanamarihana - fampandrenesana mahazatra indrindra, masoivoho simika eropeana (echa) Fanasokajiana sy fanoratana anarana - Fampandrenesana fampandrenesana sy fanamarihana malaza - Fampandrenesana lehibe indrindra |