![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) H301 Setšoantšo se Featured](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
| Lintho Tsa Bohlokoa Tsa 'Mele | Boleng | Boemo |
| Boima ba Molek'hule | 365.46 | - |
| Sebaka se belang (Se boletsoeng esale pele) | 504.1±50.0 °C | Tobetsa: 760 Torr |
| Boima (bo boletsoeng esale pele) | 1.091±0.06 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr |
| pKa (E boletsoeng esale pele) | 11.82±0.46 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C |
Canonical SMILES 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,6,12-13H2,1-5 H3,(H,21,24)/t14-,16+,18-/m0/s1
Senotlolo sa InChi
AZTSBAWJROLRIQ-LESCRADOSA-N
| Thepa e teng |
| Likokoana-hloko |
| Lik'hemik'hale |
| Botenya |
| Lipinski |
| Sebopeho se Amanang |
| Mocheso |
Likokoana-hloko
| Thepa | Boleng | Boemo | Mohloli |
| Bioconcentration Factor | 616 | pH 1; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 617 | pH 2; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 617 | pH 3; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 617 | pH 4; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 617 | pH 5; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 617 | pH 6; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 617 | pH 7; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 617 | pH 8; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 616 | pH 9; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 604 | pH 10; Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lik'hemik'hale
| Thepa | Boleng | Boemo | Mohloli |
| Koc | 3450 | pH 1; Mocheso: 25 °C | (1) ACD |
| Koc | 3460 | pH 2; Mocheso: 25 °C | (1) ACD |
| Koc | 3460 | pH 3; Mocheso: 25 °C | (1) ACD |
| Koc | 3460 | pH 4; Mocheso: 25 °C | (1) ACD |
| Koc | 3460 | pH 5; Mocheso: 25 °C | (1) ACD |
| Koc | 3460 | pH 6; Mocheso: 25 °C | (1) ACD |
| Koc | 3460 | pH 7; Mocheso: 25 °C | (1) ACD |
| Koc | 3460 | pH 8; Mocheso: 25 °C | (1) ACD |
| Koc | 3450 | pH 9; Mocheso: 25 °C | (1) ACD |
| Koc | 3390 | pH 10; Mocheso: 25 °C | (1) ACD |
| logD | 3.97 | pH 1; Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| logD | 3.97 | pH 2; Mocheso: 25 °C | (1) ACD |
| logD | 3.97 | pH 3; Mocheso: 25 °C | (1) ACD |
| logD | 3.97 | pH 4; Mocheso: 25 °C | (1) ACD |
| logD | 3.97 | pH 5; Mocheso: 25 °C | (1) ACD |
| logD | 3.97 | pH 6; Mocheso: 25 °C | (1) ACD |
| logD | 3.97 | pH 7; Mocheso: 25 °C | (1) ACD |
| logD | 3.97 | pH 8; Mocheso: 25 °C | (1) ACD |
| logD | 3.97 | pH 9; Mocheso: 25 °C | (1) ACD |
| logD | 3.96 | pH 10; Mocheso: 25 °C | (1) ACD |
| logP | 3.974±0.543 | Mocheso: 25 °C | (1) ACD |
| Mass Intrinsic Sollubility | 0.062 g/L | Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.062 g/L | pH 1; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.062 g/L | pH 2; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.062 g/L | pH 3; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.062 g/L | pH 4; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.062 g/L | pH 5; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.062 g/L | pH 6; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.062 g/L | pH 7; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.062 g/L | pH 8; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.062 g/L | pH 9; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.062 g/L | pH 10; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.062 g/L | Metsi a sa tsitsang pH 6.99; Mocheso: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.7 x 10-4 mol/L | Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 1; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 2; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 3; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 4; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 5; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 6; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 7; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 8; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 9; Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 10; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | Metsi a sa tsitsang pH 6.99; Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 365.46 | ||
| pKa | 11.82±0.46 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C | (1) ACD |
| pKa | -1,56±0,70 | Mocheso ka ho Fetisisa oa Motheo: 25 °C | (1) ACD |
| Khatello ea Mouoane | 5.56 x 10-11 Torr | Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Botenya
| Thepa | Boleng | Boemo | Mohloli |
| Botenya | 1.091±0.06 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
| Molumo oa Molar | 334.7±3.0 cm3/mol | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Thepa | Boleng | Boemo | Mohloli |
| Li-Bonds tse ka fetolehang ka bolokolohi | 12 | (1) ACD | |
| H Ba amohelang | 6 | (1) ACD | |
| H Bafani | 2 | (1) ACD | |
| H Kakaretso ea Mofani/Moamoheli | 8 | (1) ACD | |
| logP | 3.974±0.543 | Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 365.46 |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Sebopeho se Amanang
| Thepa | Boleng | Boemo | Mohloli |
| Sebaka sa Polar Surface | 84.9 A2 | (1) ACD | |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Mocheso
| Thepa | Boleng | Boemo | Mohloli |
| Ntlha e belang | 504.1±50.0 °C | Tobetsa: 760 Torr | (1) ACD |
| Enthalpy ea vaporization | 81.44±3.0 kJ/mol | Tobetsa: 760 Torr | (1) ACD |
| Flash point | 258.6±30.1 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra e fumaneha
1H NMR
13C NMR
| Khoutu | Polelo ea Kotsi | Mohloli |
| H301 | E chefo haeba e koetsoe | European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngolisoa - litsebiso tse tloaelehileng haholo, Sehlopha sa European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngola - litsebiso tse tebileng ka ho fetisisa. |
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