ChemSpider 2D Image | (4S)-4-Hydroxy-2-oxoheptanedioate | C7H8O6

(4S)-4-Hydroxy-2-oxoheptanedioate

  • Molecular FormulaC7H8O6
  • Average mass188.136 Da
  • Monoisotopic mass188.033188 Da
  • ChemSpider ID58163892

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-Hydroxy-2-oxoheptandioat [German] [ACD/IUPAC Name]
(4S)-4-Hydroxy-2-oxoheptanedioate [ACD/IUPAC Name]
(4S)-4-Hydroxy-2-oxoheptanedioate [French] [ACD/IUPAC Name]
Heptanedioic acid, 4-hydroxy-2-oxo-, ion(2-), (4S)- [ACD/Index Name]
(S)-4-hydroxy-2-oxoheptanedioate
  • Miscellaneous

    • Chemical Class:

      A 4-hydroxy-2-oxoheptanedioate obtained by deprotonation of both carboxy groups of (S)-4-hydroxy-2-oxoheptanedioic acid; major species at pH 7.3. ChEBI CHEBI:87522

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

Density:
Boiling Point: 449.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.8±6.0 kJ/mol
Flash Point: 240.0±23.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.73
ACD/LogD (pH 5.5): -5.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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