ChemSpider 2D Image | 2,3-DIHYDROXY-VALERIANIC ACID | C6H12O4

2,3-DIHYDROXY-VALERIANIC ACID

  • Molecular FormulaC6H12O4
  • Average mass148.157 Da
  • Monoisotopic mass148.073563 Da
  • ChemSpider ID26330078

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,3-DIHYDROXY-VALERIANIC ACID
4,5-Dideoxy-3-C-methyl-L-erythro-pentonic acid [ACD/IUPAC Name]
4,5-Didesoxy-3-C-methyl-L-erythro-pentonsäure [German] [ACD/IUPAC Name]
Acide 4,5-didésoxy-3-C-méthyl-L-érythro-pentonique [French] [ACD/IUPAC Name]
L-erythro-Pentonic acid, 4,5-dideoxy-3-C-methyl- [ACD/Index Name]
(2S,3S)-2,3-dihydroxy-3-methylpentanoic acid
63163-12-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 333.2±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.7±6.0 kJ/mol
Flash Point: 169.5±20.2 °C
Index of Refraction: 1.497
Molar Refractivity: 34.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -2.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 117.6±3.0 cm3

Click to predict properties on the Chemicalize site


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