ChemSpider 2D Image | 3-Deoxy-D-threo-hex-2-ulosarate | C6H6O7

3-Deoxy-D-threo-hex-2-ulosarate

  • Molecular FormulaC6H6O7
  • Average mass190.109 Da
  • Monoisotopic mass190.012451 Da
  • ChemSpider ID31150512
  • Charge - Charge

    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-ulosarate [ACD/IUPAC Name]
3-Désoxy-D-thréo-hex-2-ulosarate [French] [ACD/IUPAC Name]
D-threo-2-Hexulosaric acid, 3-deoxy-, ion(2-) [ACD/Index Name]
(2S,3R)-dihydroxy-5-oxohexanedioate
2-keto-D-threo-4,5-dihydroxyadipate
3-deoxy-D-threo-hex-2-ulosarate(2-)
  • Miscellaneous
    • Chemical Class:

      A hexaric acid anion obtained by deprotonation of the two carboxy groups of 3-deoxy-D-threo-hex-2-ulosaric acid; major species at pH 7.3. ChEBI CHEBI:78267

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

Density:
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:
Molar Refractivity:
#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: 138 Å2
Polarizability:
Surface Tension:
Molar Volume:

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