C31H32N2o8 Uridine, 5'-O- [BIS (4-Movhyphenyl) Phenylmethyl] -2'--O-O-Methyl- (9C i, Aci)
Fananana ara-batana lehibe | sarobidy | toe-javatra |
Lanjan'ny molekiola | 560.60 | - |
Fahalemena (nambara) | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (nambara) | 9.39 ± 0.10 | Ankamaroan'ny temps temp: 25 ° C |
Canonical Smiles O = C1C = CN (C (= O) N1) CCOC (COC (C = 3C = CC = CC3) (CC3) (CC3) C = C (OC) C = C (OC) C = C5) C (O) C (O) C2OC
Isomeric Smiles C (OC [C @ h] 1o [C @ h] ([O) (OC) [C @@ h]
Inchi
Inchi = 1s / c31h32n2o8 / c1-37-23-13-9-21 (10-9-21 (10-7-25-4-4-112-15-14 »(38-2) 16-19-25-25 (35) 28 (39-3) 29 (41-25) 29 (41-25) 29 (41-25) 29 (49-25-25)
33-18-17-26 (34) 32-30 (33) 36/21-182525,27-29,25h, 19h2,1-33, (H, 32345) / t25-, 28- / m1 / s1
Inchi Key
Mfdhavfjdsrpkc-yxinzvnlsa-n
2 anarana hafa ho an'ity akora ity
5'-O- [bis (4-metoxylhenchyl) -2'--o-methyluridine (aci); 5'-O- (4,4'-dimethoxytrityl) -2'-O-O-Methyluridine
Spectra misy
1H NMR
-bahoaka
Fananana misy |
niteraka |
simika |
hakitroky |
Lipinski |
Mifandraika mifandraika |
niteraka
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 1240 | PH 1; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1240 | PH 2; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1240 | PH 3; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1240 | PH 4; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1240 | PH 5; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1240 | PH 6; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1230 | PH 7; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1190 | PH 8; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 861 | PH 9; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 238 | 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 | 5690 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 5690 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 5690 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 5690 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 5690 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 5690 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 5670 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 5450 | PH 8; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 3960 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 1100 | PH 10; Temp: 25 ° C | (1) ACD |
LogD | 4.37 | PH 1; Temp: 25 ° C | (1) ACD |
LogD | 4.37 | PH 2; Temp: 25 ° C | (1) ACD |
LogD | 4.37 | PH 3; Temp: 25 ° C | (1) ACD |
LogD | 4.37 | PH 4; Temp: 25 ° C | (1) ACD |
LogD | 4.37 | PH 5; Temp: 25 ° C | (1) ACD |
LogD | 4.37 | PH 6; Temp: 25 ° C | (1) ACD |
LogD | 4.37 | PH 7; Temp: 25 ° C | (1) ACD |
LogD | 4.35 | PH 8; Temp: 25 ° C | (1) ACD |
LogD | 4.21 | PH 9; Temp: 25 ° C | (1) ACD |
LogD | 3.66 | PH 10; Temp: 25 ° C | (1) ACD |
Logp | 4.372 ± 0.582 | Temp: 25 ° C | (1) ACD |
Solondrailala an-tsokosoko | 3.7 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Supubility Mass | 3.7 x 10-4 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Supubility Mass | 3.7 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Supubility Mass | 3.7 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Supubility Mass | 3.7 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Supubility Mass | 3.7 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Supubility Mass | 3.7 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Supubility Mass | 3.7 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Supubility Mass | 3.8 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.3 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.9 x 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Supubility Mass | 3.7 x 10-4 g / l | Rano tsy voaroy 6,99; Temp: 25 ° C | (1) ACD |
Movra intrinsic solubility | 6.6 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Molar Solubility | 6.6 x 10-7 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molar Solubility | 6.8 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molar Solubility | 9.4 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.4 x 10-6 Mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molar Solubility | 6.6 x 10-7 mol / l | Rano tsy voaroy 6,99; Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 560.60 | ||
pka | 9.39 ± 0.10 | Ankamaroan'ny temps 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 | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar volume | 412.9 ± 5.0 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 | 11 | (1) ACD | |
H Mpanaja | 10 | (1) ACD | |
H mpamatsy vola | 2 | (1) ACD | |
H Donor / Accas Sum | 12 | (1) ACD | |
Logp | 4.372 ± 0.582 | Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 560.60 |
(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 | 116 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