![C20H31NO5 asidra heptanoic, 3- hydroxy-5-methyl-4 - [[[(phenylmethoxy) carbonyl] Amino - Amino] - 1,1-dimethylethyl Ester,](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C20H31NO5 asidra heptanoic, 3- hydroxy-5-methyl-4 - [[(phenylmethoxy) carbonyl] Amino] -, 1,1-dimethylethyl est,](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20H31NO5 asidra heptanoic, 3- hydroxy-5-methyl-4 - [[[(phenylmethoxy) carbonyl] Amino - Amino] - 1,1-dimethylethyl Ester,
| Fananana ara-batana lehibe | sarobidy | toe-javatra |
| Lanjan'ny molekiola | 365.46 | - |
| Mangotraka (nambara) | 504.1 ± 50.0 ° C | Press: 760 Torr |
| Fahalemena (nambara) | 1.091 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (nambara) | 11.82 ± 0.46 | Ankamaroan'ny temps temp: 25 ° C |
Canonical Smiles O = C (O Occ = 1C = CC = CC1) NC (C (O) CC (= O) OC (C CC1) CC (C CC1) CC (C
Isomeric Smiles [c @@ H] (C @@ H] (CC (OC (C) (C) C) = O) O) (NC (Occ1 = CC = CC = CC = C1) = O) [C @ h] (CC) C
Inchi
Inchi = 1s / c20h31no5 / c1-6-14 (2) 18 (16 (22) 12-17 (23) 5-20 (3,4)
Inchi Key
Aztsbawjrolriq-Lescradosa-n
| Fananana misy |
| niteraka |
| simika |
| hakitroky |
| Lipinski |
| Mifandraika mifandraika |
| mafana |
niteraka
| NY FANANANA | sarobidy | toe-javatra | Source |
| Factor Bioconcentration | 616 | PH 1; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 617 | PH 2; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 617 | PH 3; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 617 | PH 4; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 617 | PH 5; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 617 | PH 6; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 617 | PH 7; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 617 | PH 8; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 616 | PH 9; Temp: 25 ° C | (1) ACD |
| Factor Bioconcentration | 604 | 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 | 3450 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | PH 7; Temp: 25 ° C | (1) ACD |
| Koc | 3460 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 3450 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 3390 | PH 10; Temp: 25 ° C | (1) ACD |
| LogD | 3.97 | PH 1; Temp: 25 ° C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| LogD | 3.97 | PH 2; Temp: 25 ° C | (1) ACD |
| LogD | 3.97 | PH 3; Temp: 25 ° C | (1) ACD |
| LogD | 3.97 | PH 4; Temp: 25 ° C | (1) ACD |
| LogD | 3.97 | PH 5; Temp: 25 ° C | (1) ACD |
| LogD | 3.97 | PH 6; Temp: 25 ° C | (1) ACD |
| LogD | 3.97 | PH 7; Temp: 25 ° C | (1) ACD |
| LogD | 3.97 | PH 8; Temp: 25 ° C | (1) ACD |
| LogD | 3.97 | PH 9; Temp: 25 ° C | (1) ACD |
| LogD | 3.96 | PH 10; Temp: 25 ° C | (1) ACD |
| Logp | 3.974 ± 0.543 | Temp: 25 ° C | (1) ACD |
| Solondrailala an-tsokosoko | 0.062 g / l | Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.062 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.062 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.062 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.062 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.062 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.062 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.062 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.062 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.062 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.062 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Supubility Mass | 0.062 g / l | Rano tsy voaroy 6,99; Temp: 25 ° C | (1) ACD |
| Movra intrinsic solubility | 1.7 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Molar Solubility | 1.7 x 10-4 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / l | Rano tsy voaroy 6,99; Temp: 25 ° C | (1) ACD |
| Lanjan'ny molekiola | 365.46 | ||
| pka | 11.82 ± 0.46 | Ankamaroan'ny temps temp: 25 ° C | (1) ACD |
| pka | -1.56 ± 0.70 | Ny ankamaroan'ny Temp: 25 ° C | (1) ACD |
| Ny tsindry vapor | 5.56 x 10-11 Torr | 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 | 1.091 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar volume | 3344.7 ± 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 | 12 | (1) ACD | |
| H Mpanaja | 6 | (1) ACD | |
| H mpamatsy vola | 2 | (1) ACD | |
| H Donor / Accas Sum | 8 | (1) ACD | |
| Logp | 3.974 ± 0.543 | Temp: 25 ° C | (1) ACD |
| Lanjan'ny molekiola | 365.46 |
(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 | 84.9 A2 | (1) ACD | |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
mafana
| NY FANANANA | sarobidy | toe-javatra | Source |
| Mangotraka | 504.1 ± 50.0 ° C | Press: 760 Torr | (1) ACD |
| Enthhalpy ny vaporization | 81.44 ± 3.0 KJ / Mol | Press: 760 Torr | (1) ACD |
| Flash point | 258.6 ± 30.1 ° C | (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
| fehezan-dalàna | Fanambarana momba ny loza | Source |
| H301 | Poizina raha mitelina | Ny fifanakalozan-kevitra simika simika eropeana sy ny famoretana an-tsary momba ny simika sy ny mari-pamantarana - fampandrenesana mahazatra, ny fampandrenesana mahazatra, ny masoivoho simika (echa) |
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