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ChemSpider 2D Image | (1R,2S)-1-Hydroxy-1,2,5-pentanetricarboxylate | C8H9O7

(1R,2S)-1-Hydroxy-1,2,5-pentanetricarboxylate

  • Molecular FormulaC8H9O7
  • Average mass217.154 Da
  • Monoisotopic mass217.036469 Da
  • ChemSpider ID28639108

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-1-Hydroxy-1,2,5-pentanetricarboxylate [ACD/IUPAC Name]
(1R,2S)-1-Hydroxy-1,2,5-pentanetricarboxylate [French] [ACD/IUPAC Name]
(1R,2S)-1-Hydroxy-1,2,5-pentantricarboxylat [German] [ACD/IUPAC Name]
1,2,5-Pentanetricarboxylic acid, 1-hydroxy-, ion(3-), (1R,2S)- [ACD/Index Name]
(-)-threo-1-hydroxy-1,2,5-pentane-tricarboxylate(3-)
(1R,2S)-1-hydroxypentane-1,2,5-tricarboxylate
(1R,2S)-1-hydroxypentane-1,2,5-tricarboxylate(3-)
  • Miscellaneous

    • Chemical Class:

      A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of (-)-threo-isodihomocitric acid; major species at pH 7.3. ChEBI CHEBI:72722

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

Density:
Boiling Point: 433.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±6.0 kJ/mol
Flash Point: 230.1±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -4.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.68
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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