ChemSpider 2D Image | 3-Deoxy-D-threo-hex-2-ulosaric acid | C6H8O7

3-Deoxy-D-threo-hex-2-ulosaric acid

  • Molecular FormulaC6H8O7
  • Average mass192.124 Da
  • Monoisotopic mass192.027008 Da
  • ChemSpider ID31150589
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3-Deoxy-D-threo-hex-2-ulosaric acid [ACD/IUPAC Name]
Acide 3-désoxy-D-thréo-hex-2-ulosarique [French] [ACD/IUPAC Name]
D-threo-2-Hexulosaric acid, 3-deoxy- [ACD/Index Name]
(2S,3R)-2,3-dihydroxy-5-oxohexanedioic acid
2-keto-D-threo-4,5-dihydroxyadipic acid
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78709
  • Miscellaneous
    • Chemical Class:

      A hexaric acid derivative that is adipic acid substituted at position 2 by an oxo group and at positions 4 and 5 by hydroxy groups (the <stereo>D</stereo>-<stereo>threo</stereo>-stereoisomer). ChEBI CHEBI:78709
      A hexaric acid derivative that is adipic acid substituted at position 2 by an oxo group and at positions 4 and 5 by hydroxy groups (the D-threo-stereoisomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78709

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

Density: 1.8±0.1 g/cm3
Boiling Point: 555.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 303.9±26.6 °C
Index of Refraction: 1.570
Molar Refractivity: 36.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.19
ACD/LogD (pH 5.5): -6.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 100.9±3.0 dyne/cm
Molar Volume: 109.7±3.0 cm3

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