ChemSpider 2D Image | (3S)-3-Hydroxy-5-methoxy-3-methyl-5-oxopentanoic acid | C7H12O5

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

  • Molecular FormulaC7H12O5
  • Average mass176.167 Da
  • Monoisotopic mass176.068466 Da
  • ChemSpider ID74090710

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxy-5-methoxy-3-methyl-5-oxopentanoic acid [ACD/IUPAC Name]
(3S)-3-Hydroxy-5-methoxy-3-methyl-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-hydroxy-5-méthoxy-3-méthyl-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-hydroxy-3-methyl-, monomethyl ester, (3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 354.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.4±6.0 kJ/mol
Flash Point: 146.2±18.6 °C
Index of Refraction: 1.475
Molar Refractivity: 39.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 139.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement