C17H19N3o6 Thmidine, α -Oxo- α - [(phenylmethyl) Amino] - (Aci)
Laharana fisoratana anarana CAS
944268--75-1
Fananana ara-batana lehibe | sarobidy | toe-javatra |
Lanjan'ny molekiola | 361.35 | - |
Fahalemena (nambara) | 1.459 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (nambara) | 8.27 ± 0.10 | Ankamaroan'ny temps temp: 25 ° C |
Tsiky kanonika
O = C1NC (= O) N (C = C1C (= O) NCC = 2C = CC = CC2) C3OC (CO) C (O) C3
Mitsiky i Isomeric
O = C1N (C @@ H] 2o [C @ c @ co) [C @@ H] (O) C2) C2) C = C (NCC3 = CC = CC = CC = CC = CC = CC = O) C (= O) N1
Inchi
Inchi = 1s / c17H19N3o6 / c21-9-13-12 (22) 6-14 (26-13) 20-8-11 (16 (24) 19-17 (20) 25) 15 (23) 18-7-10-25-319-14,712h, 6-7,71-22H, 6-7,712 H2, (H, 18,23) (H, 1924,25) / t12-, 13 +, 14 + / M0 / S1
Inchi Key
Vbryagcuexfmm-bfhyxjousa-n
3 anarana hafa ho an'ity zavatra ity
α -oxo-α - [(phenylmethyl) Amino] thymidine (aci); (Bndu); 7: pn: w2020081510 Seqid: 7 no nitaky ny filaharana
Fananana misy
niteraka
simika
hakitroky
Lipinski
Mifandraika mifandraika
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 2; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 4; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 5; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 6; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 7; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 1.0 | PH 10; Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Loharanom-pahalalana momba ny fananana fananana |
Koc 18.3 PH 1; Temp: 25 ° C (1) ACD |
Koc 18.3 PH 2; Temp: 25 ° C (1) ACD |
Koc 18.3 PH 3; Temp: 25 ° C (1) ACD |
Koc 18.3 PH 4; Temp: 25 ° C (1) ACD |
Koc 18.3 PM 5; Temp: 25 ° C (1) ACD |
Koc 18.1 PH 6; Temp: 25 ° C (1) ACD |
Koc 16.4 PH 7; Temp: 25 ° C (1) ACD |
Koc 8.56 PH 8; Temp: 25 ° C (1) ACD |
Koc 1.62 pH 9; Temp: 25 ° C (1) ACD |
Koc 1.0 pH 10; Temp: 25 ° C (1) ACD |
Logd -0.21 PH 1; Temp: 25 ° C (1) ACD |
Logd -0.21 pH 2; Temp: 25 ° C (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
LogD | -0.21 | PH 3; Temp: 25 ° C | (1) ACD |
LogD | -0.21 | PH 4; Temp: 25 ° C | (1) ACD |
LogD | -0.21 | PH 5; Temp: 25 ° C | (1) ACD |
LogD | -0.22 | PH 6; Temp: 25 ° C | (1) ACD |
LogD | -0.26 | PH 7; Temp: 25 ° C | (1) ACD |
LogD | -0.54 | PH 8; Temp: 25 ° C | (1) ACD |
LogD | -1.26 | PH 9; Temp: 25 ° C | (1) ACD |
LogD | -1.95 | PH 10; Temp: 25 ° C | (1) ACD |
Logp | -0.212 ± 0.585 | Temp: 25 ° C | (1) ACD |
Solondrailala an-tsokosoko | 0.13 g / l | Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.13 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.13 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.13 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.13 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.13 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.14 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.15 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.29 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Supubility Mass | 1.5 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Supubility Mass | 7.2 G / L | PH 10; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.14 g / l | Rano tsy voaroy PH 5.68; Temp: 25 ° C | (1) ACD |
Movra intrinsic solubility | 3.7 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.7 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.7 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.7 x 10-4 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.7 x 10-4 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.7 x 10-4 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Molar Solubility | 3.8 x 10-4 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Molar Solubility | 4.2 x 10-4 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molar Solubility | 8.0 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Molar Solubility | 4.2 x 10-3 Mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molar Solubility | 0,020 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Molar Solubility | 3.8 x 10-4 mol / l | Rano tsy voaroy PH 5.68; Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 361.35 | ||
pka | 8.27 ± 0.10 | Ankamaroan'ny temps temp: 25 ° C | (1) ACD |
pka | -1.66 ± 0.20 | 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 |
hakitroky | 1.459 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar volume | 247.5 ± 3.0 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)
NY FANANANA | sarobidy | toe-javatra | Source |
Fatorana rotatateble malalaka | 7 | (1) ACD | |
H Mpanaja | 9 | (1) ACD | |
H mpamatsy vola | 4 | (1) ACD | |
H Donor / Accas Sum | 13 | (1) ACD | |
Logp | -0.212 ± 0.585 | Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 361.35 |
(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 | 128 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