C30H29FN2O7777777777 Uridine, 5'-O- [BIS (4-metoxyphenyl) phenylmethenyl] -2'--Deoxy-2'- FluorExy-2'fluoro- (9ci, aci)
Fananana ara-batana lehibe | sarobidy | toe-javatra |
Lanjan'ny molekiola | 548.56 | - |
Melting Point (fanandramana) | 118-120 ° C | - |
Fahalemena (nambara) | 1.38 ± 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) C2OC (COC (C = 3C = CC = CC3) (CC3) (CC3) C = C (OC) C = C (OC) C = C5) C (O) C (O) C2F
Isomeric Smiles C (OC [C @ h] 1o [c @ h] (F) (F) [c @@ o)
Inchi
Inchi = 1s / c30h29fn2o7 / c1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19,21-19,21-19,21-19-13 (38-2) 15-11-21) 39-18-24-27 (35) 26 (31-24-27.
-17-16-25 (34) 32-29 (33) 36 / H3-17.24,26-28,35H, 18H2,123, (H, 3235) / T24-, 26- / M1 / S1
Inchi Key
CSSFZSSZXoccjB-Yuloidqlsa-N
1 anarana hafa ho an'ity akora ity
5'-O- [bis (4-metoxylhenchyl) phenylmethyl] -2'-Deoxy-2'-fluorouridine (Aci)
Fananana misy
mafana
mafana
NY FANANANA | sarobidy | toe-javatra | Source |
Melting Point | 118-120 ° 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 | 3580 | PH 1; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 3580 | PH 2; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 3580 | PH 3; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 3580 | PH 4; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 3580 | PH 5; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 3580 | PH 6; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 3570 | PH 7; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 3430 | PH 8; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 2500 | PH 9; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 689 | 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 | 12200 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 12200 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 12200 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 12200 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 12200 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 12200 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 12100 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 11700 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 8480 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 2340 | PH 10; Temp: 25 ° C | (1) ACD |
LogD | 4.98 | PH 1; Temp: 25 ° C | (1) ACD |
LogD | 4.98 | PH 2; Temp: 25 ° C | (1) ACD |
LogD | 4.98 | PH 3; Temp: 25 ° C | (1) ACD |
LogD | 4.98 | PH 4; Temp: 25 ° C | (1) ACD |
LogD | 4.98 | PH 5; Temp: 25 ° C | (1) ACD |
LogD | 4.98 | PH 6; Temp: 25 ° C | (1) ACD |
LogD | 4.98 | PH 7; Temp: 25 ° C | (1) ACD |
LogD | 4.96 | PH 8; Temp: 25 ° C | (1) ACD |
LogD | 4.82 | PH 9; Temp: 25 ° C | (1) ACD |
LogD | 4.26 | PH 10; Temp: 25 ° C | (1) ACD |
Logp | 4.979 ± 0.563 | Temp: 25 ° C | (1) ACD |
Solondrailala an-tsokosoko | 9.9 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Supubility Mass | 9.9 x 10-5 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Supubility Mass | 9.9 x 10-5 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Supubility Mass | 9.9 x 10-5 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Supubility Mass | 9.9 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Supubility Mass | 9.9 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Supubility Mass | 9.9 x 10-5 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Supubility Mass | 9.9 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Supubility Mass | 9.9 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.4 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Supubility Mass | 5.0 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Supubility Mass | 9.9 x 10-5 g / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Movra intrinsic solubility | 1.8 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.5 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molar Solubility | 9.2 X 10-7 MOL / L | PH 10; Temp: 25 ° C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 548.56 | ||
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 | 1.38 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar volume | 395.8 ± 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 | 10 | (1) ACD | |
H Mpanaja | 9 | (1) ACD | |
H mpamatsy vola | 2 | (1) ACD | |
H Donor / Accas Sum | 11 | (1) ACD | |
Logp | 4.979 ± 0.563 | Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 548.56 |
(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 | 107 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