ChemSpider 2D Image | (2R,3R)-2,3-Dihydroxy-4-methoxy-4-oxobutanoic acid | C5H8O6

(2R,3R)-2,3-Dihydroxy-4-methoxy-4-oxobutanoic acid

  • Molecular FormulaC5H8O6
  • Average mass164.113 Da
  • Monoisotopic mass164.032089 Da
  • ChemSpider ID61322840

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2,3-Dihydroxy-4-methoxy-4-oxobutanoic acid [ACD/IUPAC Name]
(2R,3R)-2,3-Dihydroxy-4-methoxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2R,3R)-2,3-dihydroxy-4-méthoxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, 2,3-dihydroxy-, monomethyl ester, (2R,3R)- [ACD/Index Name]
(2R,3R)-2,3-Dihydroxybutanedioic acid 1-methyl ester
3333-46-8 [RN]
82796-94-9 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 444.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±6.0 kJ/mol
Flash Point: 194.0±22.2 °C
Index of Refraction: 1.513
Molar Refractivity: 31.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -3.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 72.1±3.0 dyne/cm
Molar Volume: 104.9±3.0 cm3

Click to predict properties on the Chemicalize site


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