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Search term: YNOXCRMFGMSKIJ-NFNCENRGSA-K (Found by InChIKey (full match))
ChemSpider 2D Image | 3-C-Carboxylato-2,4-dideoxy-4-methyl-D-erythro-pentarate | C7H7O7

3-C-Carboxylato-2,4-dideoxy-4-methyl-D-erythro-pentarate

  • Molecular FormulaC7H7O7
  • Average mass203.128 Da
  • Monoisotopic mass203.020828 Da
  • ChemSpider ID26331401

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-C-Carboxylato-2,4-dideoxy-4-methyl-D-erythro-pentarate [ACD/IUPAC Name]
3-C-Carboxylato-2,4-didesoxy-4-methyl-D-erythro-pentarat [German] [ACD/IUPAC Name]
3-C-Carboxylato-2,4-didésoxy-4-méthyl-D-érythro-pentarate [French] [ACD/IUPAC Name]
D-erythro-Pentaric acid, 3-C-carboxy-2,4-dideoxy-4-methyl-, ion(3-) [ACD/Index Name]
(1S,2S)-2-hydroxy-1-methylpropane-1,2,3-tricarboxylate
(2S,3S)-2-hydroxybutane-1,2,3-tricarboxylate
(2S,3S)-2-hydroxybutane-1,2,3-tricarboxylate; 3-C-carboxylato-2,4-dideoxy-4-methyl-D-erythro-pentarate
(2S,3S)-2-methylcitrate
(2S,3S)-2-methylcitrate(3-)
  • Miscellaneous

    • Chemical Class:

      Trianion arising from deprotonation of all three carboxylic acid groups of (2S,3S)-2-methylcitric acid. ChEBI CHEBI:58853

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

Density:
Boiling Point: 313.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.3±6.0 kJ/mol
Flash Point: 157.4±24.4 °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: -1.37
ACD/LogD (pH 5.5): -5.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.87
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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