C44H49N5O7SI Adenosine, N-Benzoyyl-5'-O- [BIS (4-Movhyphenyl) Phenylmethyl] -2'- O - [(1,1-dimethieLethyl) Dimethethylsilyl] - (9ci, Aci)
Fananana ara-batana lehibe | sarobidy | toe-javatra |
Lanjan'ny molekiola | 787.98 | - |
Fahalemena (nambara) | 1.23 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (nambara) | 7.87 ± 0.43 | Ankamaroan'ny temps temp: 25 ° C |
Tsiky kanonika
O = C (NC1 = NC = NC2 = CN2C3OC (COC (C = 4C = CC = CC4) C = C (O) C (C) C (C) C (C) C (C) C (C) C (C) C) C = 7C = CC = CC7
Mitsiky i Isomeric
C (OC [c @ avy] 1o [C @ h] ([C @ si] (O [c (c) (c (c) c) (c) c) [c) c) [c (c) c) [c (c) c) [c (c) c) [c C (= o) c4 = CC = CC = CC = CC) N = CN3) (C5 = CC = C (OC) C = C5)
Inchi
Inchi = 1s / c44h49n5o7si / c1-43 (2,3) 57 (6,7) 56-38-37 (50) 35 (55-42 (38) 49-28-47-366-39 (45-27-46-40 (36) 48-41 (511) 48-41-8-11-15-2-10-15-15-2 9) 26-54-44 (30-16-12-9-13-17-30,31-18-22-33 (52-4) 23-19-31) 32-20-24-34 (53-5) 25-21-32 / h8-25,27-28,35,37-38,7,50,37-38,735,50, 26h2,1-7H3, (h,
45 446 48,481) / t35-, 37-, 38- 42- / M1 / S1
Inchi Key
Dazigopasnjpcj-gnecsjisa-n
2 anarana hafa ho an'ity akora ity
N-benzoyyl-5'-O- [BIS (4-methyphenyl) phenylmetheny: N6-BENZOYL-5'-O- (4,4'- DimetHoxytrityl) -2'-O- (Tert-butyldimethylylililyl) adenosine
Spectra misy
1H NMR
Hetero nmr
Fananana misy |
niteraka |
simika |
hakitroky |
Lipinski |
Mifandraika mifandraika |
niteraka
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 1.00 x 106 | PH 1; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 2; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | 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 | 1.00 x 106 | PH 8; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.00 x 106 | PH 9; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 5.41 x 105 | 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 | 2.01 x 106 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 6.87 x 106 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 9.08 x 106 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 9.38 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 9.39 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 9.19 x 106 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 7.53 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 2.73 x 106 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 4.48 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 1.31 x 105 | PH 10; Temp: 25 ° C | (1) ACD |
LogD | 9.62 | PH 1; Temp: 25 ° C | (1) ACD |
LogD | 10.15 | PH 2; Temp: 25 ° C | (1) ACD |
LogD | 10.27 | PH 3; Temp: 25 ° C | (1) ACD |
LogD | 10.29 | PH 4; Temp: 25 ° C | (1) ACD |
LogD | 10.29 | PH 5; Temp: 25 ° C | (1) ACD |
LogD | 10.28 | PH 6; Temp: 25 ° C | (1) ACD |
LogD | 10.19 | PH 7; Temp: 25 ° C | (1) ACD |
LogD | 9.75 | PH 8; Temp: 25 ° C | (1) ACD |
LogD | 8.97 | PH 9; Temp: 25 ° C | (1) ACD |
LogD | 8.43 | PH 10; Temp: 25 ° C | (1) ACD |
Logp | 10.291 ± 0.708 | Temp: 25 ° C | (1) ACD |
Solondrailala an-tsokosoko | 1.1 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
Supubility Mass | 4.8 x 10-6 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.4 x 10-6 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.1 x 10-6 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.0 x 10-6 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.0 x 10-6 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.0 x 10-6 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.3 x 10-6 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Supubility Mass | 3.5 x 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Supubility Mass | 2.2 x 10-5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Supubility Mass | 7.6 x 10-5 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.3 x 10-6 g / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Movra intrinsic solubility | 1.4 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
Molar Solubility | 6.1 X 10-9 Mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.8 x 10-9 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-9 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.3 x 10-9 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.3 x 10-9 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Molar Solubility | 1.3 x 10-9 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.6 x 10-9 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molar Solubility | 4.5 x 10-9 Mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.8 x 10-8 Mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molar Solubility | 9.6 x 10-8 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.6 x 10-9 mol / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 787.98 | ||
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 | 1.23 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar volume | 639.5 ± 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 | 14 | (1) ACD | |
H Mpanaja | 12 | (1) ACD | |
H mpamatsy vola | 2 | (1) ACD | |
H Donor / Accas Sum | 14 | (1) ACD | |
Logp | 10.291 ± 0.708 | Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 787.98 |
(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 | 139 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