![C20H31No5 Heptanoic Acid, 3- hydroxy-5-methyl-4-[((phenylmethoxy) carbonyl] amino]-, 1,1-dimethylethyl ester, [3r- (3r*, 4s*, 5s*)-(9ci) H301](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C20H31No5 Heptanoic Acid, 3- hydroxy-5-methyl-4-[((phenylmethoxy) carbonyl] amino]-, 1,1-dimethylethyl ester, [3r- (3r*, 4s*, 5s*)-(9ci) picha iliyoonyeshwa ya H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20H31No5 Heptanoic Acid, 3- hydroxy-5-methyl-4-[((phenylmethoxy) carbonyl] amino]-, 1,1-dimethylethyl ester, [3r- (3r*, 4s*, 5s*)-(9ci) H301
| Sifa muhimu za mwili | Thamani | Hali |
| Uzito wa Masi | 365.46 | - |
| Kiwango cha kuchemsha (kilitabiriwa) | 504.1 ± 50.0 ° C. | Bonyeza: 760 Torr |
| Uzani (uliotabiriwa) | 1.091 ± 0.06 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr |
| PKA (alitabiri) | 11.82 ± 0.46 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical O = C (OCC = 1C = CC = CC1) NC (C (O) CC (= O) OC (C) (C) C) C (C) CC
Isomeric Smiles [C@H] ([C @@ H] (CC (OC (C) (C) C) = O) O) (NC (OCC1 = CC = CC = C1) = O) [C@H] (CC) c
Inchi
Inchi = 1S/C20H31NO5/C1-6-14 (2) 18 (16 (22) 12-17 (23) 26-20 (3,4) 5) 21-19 (24) 25-13-15-10-8-7-9-11-15/H7-11,14,16,18,22h, 6,12222,112,1222,112,112,112,112,112,12,112,12,112,12,112,112,112,112,112,12,12,12,12,12,12,12,12,12,112 H3, (h, 21,24)/t14-, 16+, 18-/m0/s1
Ufunguo wa Inchi
Aztsbawjrolriq-lescradosa-n
| Mali inapatikana |
| Kibaolojia |
| Kemikali |
| Wiani |
| Lipinski |
| Muundo unaohusiana |
| Mafuta |
Kibaolojia
| Mali | Thamani | Hali | Chanzo |
| Sababu ya bioconcentration | 616 | pH 1; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 617 | pH 2; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 617 | pH 3; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 617 | pH 4; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 617 | pH 5; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 617 | pH 6; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 617 | pH 7; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 617 | pH 8; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 616 | pH 9; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 604 | pH 10; Temp: 25 ° c | (1) ACD |
.
Kemikali
| Mali | Thamani | Hali | Chanzo |
| 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 |
| logi | 3.97 | pH 1; Temp: 25 ° c | (1) ACD |
| Mali | Thamani | Hali | Chanzo |
| logi | 3.97 | pH 2; Temp: 25 ° c | (1) ACD |
| logi | 3.97 | pH 3; Temp: 25 ° c | (1) ACD |
| logi | 3.97 | pH 4; Temp: 25 ° c | (1) ACD |
| logi | 3.97 | pH 5; Temp: 25 ° c | (1) ACD |
| logi | 3.97 | pH 6; Temp: 25 ° c | (1) ACD |
| logi | 3.97 | pH 7; Temp: 25 ° c | (1) ACD |
| logi | 3.97 | pH 8; Temp: 25 ° c | (1) ACD |
| logi | 3.97 | pH 9; Temp: 25 ° c | (1) ACD |
| logi | 3.96 | pH 10; Temp: 25 ° c | (1) ACD |
| Logp | 3.974 ± 0.543 | Temp: 25 ° c | (1) ACD |
| Umumunyifu wa ndani | 0.062 g/l | Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 0.062 g/l | pH 1; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 0.062 g/l | pH 2; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 0.062 g/l | pH 3; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 0.062 g/l | pH 4; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 0.062 g/l | pH 5; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 0.062 g/l | pH 6; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 0.062 g/l | pH 7; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 0.062 g/l | pH 8; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 0.062 g/l | pH 9; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 0.062 g/l | pH 10; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 0.062 g/l | Maji yasiyokuwa na maji pH 6.99; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa ndani wa molar | 1.7 x 10-4 mol/l | Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.7 x 10-4 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.7 x 10-4 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.7 x 10-4 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.7 x 10-4 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.7 x 10-4 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.7 x 10-4 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.7 x 10-4 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.7 x 10-4 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.7 x 10-4 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
| Mali | Thamani | Hali | Chanzo |
| Umumunyifu wa molar | 1.7 x 10-4 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.7 x 10-4 mol/l | Maji yasiyokuwa na maji pH 6.99; Temp: 25 ° c | (1) ACD |
| Uzito wa Masi | 365.46 | ||
| PKA | 11.82 ± 0.46 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
| PKA | -1.56 ± 0.70 | Muda wa msingi zaidi: 25 ° C. | (1) ACD |
| Shinikizo la mvuke | 5.56 x 10-11 Torr | Temp: 25 ° c | (1) ACD |
.
Wiani
| Mali | Thamani | Hali | Chanzo |
| Wiani | 1.091 ± 0.06 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
| Kiasi cha molar | 334.7 ± 3.0 cm3/mol | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
.
Lipinski
| Mali | Thamani | Hali | Chanzo |
| Vifungo vya mzunguko wa bure | 12 | (1) ACD | |
| Wapokeaji | 6 | (1) ACD | |
| H wafadhili | 2 | (1) ACD | |
| H wafadhili/jumla ya jumla | 8 | (1) ACD | |
| Logp | 3.974 ± 0.543 | Temp: 25 ° c | (1) ACD |
| Uzito wa Masi | 365.46 |
.
Muundo unaohusiana
| Mali | Thamani | Hali | Chanzo |
| Eneo la uso wa polar | 84.9 A2 | (1) ACD | |
.
Mafuta
| Mali | Thamani | Hali | Chanzo |
| Kiwango cha kuchemsha | 504.1 ± 50.0 ° C. | Bonyeza: 760 Torr | (1) ACD |
| Enthalpy ya mvuke | 81.44 ± 3.0 kJ/mol | Bonyeza: 760 Torr | (1) ACD |
| Kiwango cha Flash | 258.6 ± 30.1 ° C. | (1) ACD |
.
Spectra inapatikana
1H NMR
13C NMR
| Nambari | Taarifa ya hatari | Chanzo |
| H301 | Sumu ikiwa imemezwa | Uainishaji wa Wakala wa Kemikali wa Ulaya (ECHA) na Uainishaji wa Uainishaji - Uainishaji ulioarifiwa na Uandishi - Arifa za kawaida, Uainishaji wa Wakala wa Kemikali wa Ulaya (ECHA) |
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