ChemSpider 2D Image | (3S,4R,5S)-4-Amino-3-hydroxy-5-methylheptanoic acid | C8H17NO3

(3S,4R,5S)-4-Amino-3-hydroxy-5-methylheptanoic acid

  • Molecular FormulaC8H17NO3
  • Average mass175.225 Da
  • Monoisotopic mass175.121000 Da
  • ChemSpider ID25058876

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,4R,5S)-4-Amino-3-hydroxy-5-methylheptanoic acid [ACD/IUPAC Name]
(3S,4R,5S)-4-Amino-3-hydroxy-5-methylheptansäure [German] [ACD/IUPAC Name]
Acide (3S,4R,5S)-4-amino-3-hydroxy-5-méthylheptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 4-amino-3-hydroxy-5-methyl-, (3S,4R,5S)- [ACD/Index Name]
116261-18-8 [RN]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 355.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 69.5±0.0 kJ/mol
Flash Point: 168.5±0.0 °C
Index of Refraction: 1.491
Molar Refractivity: 45.6±0.0 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.02
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: 18.1±0.0 10-24cm3
Surface Tension: 46.0±0.0 dyne/cm
Molar Volume: 157.5±0.0 cm3

Click to predict properties on the Chemicalize site


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