C42h39n3o8 tsy mbola notendrena
| Fananana ara-batana lehibe | sarobidy | toe-javatra |
| Lanjan'ny molekiola | 713.78 | - |
| Fahalemena (nambara) | 1.315 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (nambara) | 8.23 ± 0.10 | Ankamaroan'ny temps temp: 25 ° C |
Canonical Smiles O = C1NC (= O) N (C = CCC (= O) NCC2 = CC = CC = CC = CC = C (OC) C = C (OC = C (OC) C = C (OC) C = C (OC) C = C (O) C
Mitsiky i Isomeric
C (OC [C @ avy] 1o [c @@ H] 1o) N2C = C (C (C = CC3) C (C (OC) C = C (OC) C = C (OC) C = C (OC) C = C (OC) C = C6) C
Inchi
Inchi = 1s / c42h39n3o8 / c1-50-32-19-15-30 (16-20-32) 42 (29-12-4-3-5-13-13-29,3 (51-2) (51-2) 22-18-31) 52-26-31-36 (46) 23-38 (53-37) 4 5-25-35 (40 (48) 44-41 (45) 49) 39 (47) 49-8-14-28-11-7-14-9-8-7-14-34
Inchi Key
Hdumrqqryjobfs-yxwiycfasa-n
| Fananana misy |
| niteraka |
| Fananana misy |
| simika |
| hakitroky |
| Lipinski |
| Mifandraika mifandraika |
niteraka
| NY FANANANA | sarobidy | toe-javatra | Source |
| Factor Bioconcentration | 41700 | PH 1; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 41700 | PH 2; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 41700 | PH 3; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 41700 | PH 4; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 41700 | PH 5; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 41200 | PH 6; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 36900 | PH 7; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 18100 | PH 8; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 3290 | PH 9; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 718 | 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 | 70600 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 70600 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 70600 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 70600 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 70500 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 69700 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 62400 | PH 7; Temp: 25 ° C | (1) ACD |
| Koc | 30600 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 5560 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 1210 | PH 10; Temp: 25 ° C | (1) ACD |
| LogD | 6.38 | PH 1; Temp: 25 ° C | (1) ACD |
| LogD | 6.38 | PH 2; Temp: 25 ° C | (1) ACD |
| LogD | 6.38 | PH 3; Temp: 25 ° C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| LogD | 6.38 | PH 4; Temp: 25 ° C | (1) ACD |
| LogD | 6.38 | PH 5; Temp: 25 ° C | (1) ACD |
| LogD | 6.38 | PH 6; Temp: 25 ° C | (1) ACD |
| LogD | 6.33 | PH 7; Temp: 25 ° C | (1) ACD |
| LogD | 6.02 | PH 8; Temp: 25 ° C | (1) ACD |
| LogD | 5.28 | PH 9; Temp: 25 ° C | (1) ACD |
| LogD | 4.62 | PH 10; Temp: 25 ° C | (1) ACD |
| Logp | 6.382 ± 0.644 | Temp: 25 ° C | (1) ACD |
| Solondrailala an-tsokosoko | 5.1 X 10-7 G / L | Temp: 25 ° C | (1) ACD |
| Supubility Mass | 5.1 X 10-7 G / L | PH 1; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 5.1 X 10-7 G / L | PH 2; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 5.1 X 10-7 G / L | PH 3; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 5.1 X 10-7 G / L | PH 4; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 5.1 X 10-7 G / L | PH 5; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 5.1 X 10-7 G / L | PH 6; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 5.7 x 10-7 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 1.1 x 10-6 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 6.4 x 10-6 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 2.9 x 10-5 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 5.7 x 10-7 g / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
| Movra intrinsic solubility | 7.1 X 10-10 Mol / l | Temp: 25 ° C | (1) ACD |
| Molar Solubility | 7.1 X 10-10 Mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 7.1 X 10-10 Mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 7.1 X 10-10 Mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 7.1 X 10-10 Mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 7.1 X 10-10 Mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 7.2 X X 10-10 MOL / L | PH 6; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 8.0 x 10-10 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 1.6 x 10-9 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 9.0 x 10-9 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 4.1 x 10-8 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 8.0 x 10-10 mol / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Lanjan'ny molekiola | 713.78 | ||
| pka | 8.23 ± 0.10 | Ankamaroan'ny temps temp: 25 ° C | (1) ACD |
| pka | -1.90 ± 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)
hakitroky
| NY FANANANA | sarobidy | toe-javatra | Source |
| hakitroky | 1.315 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar volume | 542.7 ± 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)
Lipinski
| NY FANANANA | sarobidy | toe-javatra | Source |
| Fatorana rotatateble malalaka | 13 | (1) ACD | |
| H Mpanaja | 11 | (1) ACD | |
| H mpamatsy vola | 3 | (1) ACD | |
| H Donor / Accas Sum | 14 | (1) ACD | |
| Logp | 6.382 ± 0.644 | Temp: 25 ° C | (1) ACD |
| Lanjan'ny molekiola | 713.78 |
(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 | 136 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
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