ChemSpider 2D Image | (3S)-3-Hydroxy-3-methyl-5-oxopentanoic acid | C6H10O4

(3S)-3-Hydroxy-3-methyl-5-oxopentanoic acid

  • Molecular FormulaC6H10O4
  • Average mass146.141 Da
  • Monoisotopic mass146.057907 Da
  • ChemSpider ID32995129

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxy-3-methyl-5-oxopentanoic acid [ACD/IUPAC Name]
(3S)-3-Hydroxy-3-methyl-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-hydroxy-3-méthyl-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 3-hydroxy-3-methyl-5-oxo-, (3S)- [ACD/Index Name]
1315049-45-6 [RN]
541-07-1 [RN]
mevaldic acid
UNII-T76J110U2N

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

Density: 1.2±0.1 g/cm3
Boiling Point: 324.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.6±6.0 kJ/mol
Flash Point: 164.0±23.0 °C
Index of Refraction: 1.477
Molar Refractivity: 33.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 117.1±3.0 cm3

Click to predict properties on the Chemicalize site


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