ChemSpider 2D Image | (2R)-2-Hydroxy-1,2,6-hexanetricarboxylate | C9H11O7

(2R)-2-Hydroxy-1,2,6-hexanetricarboxylate

  • Molecular FormulaC9H11O7
  • Average mass231.181 Da
  • Monoisotopic mass231.052124 Da
  • ChemSpider ID28639100

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Hydroxy-1,2,6-hexanetricarboxylate [ACD/IUPAC Name]
(2R)-2-Hydroxy-1,2,6-hexanetricarboxylate [French] [ACD/IUPAC Name]
(2R)-2-Hydroxy-1,2,6-hexantricarboxylat [German] [ACD/IUPAC Name]
1,2,6-Hexanetricarboxylic acid, 2-hydroxy-, ion(3-), (2R)- [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of (2R)-trihomocitric acid; major species at pH 7.3. ChEBI CHEBI:72699

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

Density:
Boiling Point: 446.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.3±6.0 kJ/mol
Flash Point: 238.1±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -4.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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