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ChemSpider 2D Image | (2R,3R)-2,3-Dihydroxy-4-oxobutanoic acid | C4H6O5

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

  • Molecular FormulaC4H6O5
  • Average mass134.087 Da
  • Monoisotopic mass134.021530 Da
  • ChemSpider ID26329108
  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Date of deprecation: 10:11, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(2R,3R)-2,3-Dihydroxy-4-oxobutanoic acid [ACD/IUPAC Name]
(2R,3R)-2,3-Dihydroxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2R,3R)-2,3-dihydroxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2,3-dihydroxy-4-oxo-, (2R,3R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 411.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±6.0 kJ/mol
Flash Point: 216.6±25.2 °C
Index of Refraction: 1.528
Molar Refractivity: 25.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -3.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 10.0±0.5 10-24cm3
Surface Tension: 85.5±3.0 dyne/cm
Molar Volume: 82.3±3.0 cm3

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