ChemSpider 2D Image | (2S,4S)-2-Amino-4-hydroxy-3-methylpentanoic acid | C6H13NO3

(2S,4S)-2-Amino-4-hydroxy-3-methylpentanoic acid

  • Molecular FormulaC6H13NO3
  • Average mass147.172 Da
  • Monoisotopic mass147.089539 Da
  • ChemSpider ID32056954

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S,4S)-2-Amino-4-hydroxy-3-methylpentanoic acid [ACD/IUPAC Name]
(2S,4S)-2-Amino-4-hydroxy-3-methylpentansäure [German] [ACD/IUPAC Name]
Acide (2S,4S)-2-amino-4-hydroxy-3-méthylpentanoïque [French] [ACD/IUPAC Name]
L-erythro-Pentonic acid, 2-amino-2,3,5-trideoxy-3-methyl-, (3ξ)- [ACD/Index Name]
(4S)-4-Hydroxy-L-isoleucine from fenugre
781658-23-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 331.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.5±6.0 kJ/mol
Flash Point: 154.4±25.1 °C
Index of Refraction: 1.496
Molar Refractivity: 36.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -3.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 124.5±3.0 cm3

Click to predict properties on the Chemicalize site


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