ChemSpider 2D Image | Dimethyl (2R,3S)-2-hydroxy-3-methylsuccinate | C7H12O5

Dimethyl (2R,3S)-2-hydroxy-3-methylsuccinate

  • Molecular FormulaC7H12O5
  • Average mass176.167 Da
  • Monoisotopic mass176.068466 Da
  • ChemSpider ID30992582
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R,3S)-2-Hydroxy-3-méthylsuccinate de diméthyle [French] [ACD/IUPAC Name]
Butanedioic acid, 2-hydroxy-3-methyl-, dimethyl ester, (2R,3S)- [ACD/Index Name]
Dimethyl (2R,3S)-2-hydroxy-3-methylsuccinate [ACD/IUPAC Name]
Dimethyl-(2R,3S)-2-hydroxy-3-methylsuccinat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 258.0±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.6±6.0 kJ/mol
Flash Point: 99.6±15.3 °C
Index of Refraction: 1.442
Molar Refractivity: 39.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.48
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.70
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.70
Polar Surface Area: 73 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 149.3±3.0 cm3

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