ChemSpider 2D Image | (2S)-2-Hydroxy-4-methoxy-4-oxobutanoic acid | C5H8O5

(2S)-2-Hydroxy-4-methoxy-4-oxobutanoic acid

  • Molecular FormulaC5H8O5
  • Average mass148.114 Da
  • Monoisotopic mass148.037170 Da
  • ChemSpider ID28424258

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Hydroxy-4-methoxy-4-oxobutanoic acid [ACD/IUPAC Name]
(2S)-2-Hydroxy-4-methoxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-hydroxy-4-méthoxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, 2-hydroxy-, 4-methyl ester, (2S)- [ACD/Index Name]
(S)-2-Hydroxy-4-methoxy-4-oxobutanoic acid
66178-02-7 [RN]
Malic acid 4-Me ester
malic acid monomethyl ester
MFCD19228304

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

Density: 1.4±0.1 g/cm3
Boiling Point: 357.7±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.8±6.0 kJ/mol
Flash Point: 157.3±17.2 °C
Index of Refraction: 1.473
Molar Refractivity: 30.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 107.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement