ChemSpider 2D Image | 5-amino-4-hydroxy-2-isopropyl-7-methyl-octanoic acid | C12H25NO3

5-amino-4-hydroxy-2-isopropyl-7-methyl-octanoic acid

  • Molecular FormulaC12H25NO3
  • Average mass231.332 Da
  • Monoisotopic mass231.183000 Da
  • ChemSpider ID25058891

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,4S,5S)-5-Amino-4-hydroxy-2-isopropyl-7-methyloctanoic acid [ACD/IUPAC Name]
(2S,4S,5S)-5-Amino-4-hydroxy-2-isopropyl-7-methyloctansäure [German] [ACD/IUPAC Name]
5-amino-4-hydroxy-2-isopropyl-7-methyl-octanoic acid
Acide (2S,4S,5S)-5-amino-4-hydroxy-2-isopropyl-7-méthyloctanoïque [French] [ACD/IUPAC Name]
Octanoic acid, 5-amino-4-hydroxy-7-methyl-2-(1-methylethyl)-, (2S,4S,5S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.0 g/cm3
Boiling Point: 395.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 74.7±0.0 kJ/mol
Flash Point: 193.2±0.0 °C
Index of Refraction: 1.483
Molar Refractivity: 64.1±0.0 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 25.4±0.0 10-24cm3
Surface Tension: 40.0±0.0 dyne/cm
Molar Volume: 224.3±0.0 cm3

Click to predict properties on the Chemicalize site


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