ChemSpider 2D Image | 4-Deoxy-L-erythro-hex-5-ulosuronate | C6H7O6

4-Deoxy-L-erythro-hex-5-ulosuronate

  • Molecular FormulaC6H7O6
  • Average mass175.117 Da
  • Monoisotopic mass175.024811 Da
  • ChemSpider ID20015951

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoate
4-Deoxy-L-erythro-hex-5-ulosuronate [ACD/IUPAC Name]
4-Désoxy-L-érythro-hex-5-ulosuronate [French] [ACD/IUPAC Name]
L-erythro-Hex-5-ulosuronic acid, 4-deoxy-, ion(1-) [ACD/Index Name]
(4S,5S)-4,5-dihydroxy-2,6-diketohexanoate
  • Miscellaneous

    • Chemical Class:

      A hydroxy monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid. The major species a; t pH 7.3. ChEBI CHEBI:57442
      A hydroxy monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid. The major species at pH 7.3. ChEBI CHEBI:57442

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

Density:
Boiling Point: 396.7±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.8±6.0 kJ/mol
Flash Point: 207.9±18.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.86
ACD/LogD (pH 5.5): -4.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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