ChemSpider 2D Image | (2S,3S)-2-methylcitric acid | C7H10O7

(2S,3S)-2-methylcitric acid

  • Molecular FormulaC7H10O7
  • Average mass206.150 Da
  • Monoisotopic mass206.042648 Da
  • ChemSpider ID21865819
  • defined stereocentres - 2 of 2 defined stereocentres


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

(2S,3S)-2-methylcitric acid
3-C-Carboxy-2,4-dideoxy-4-methyl-D-erythro-pentaric acid [ACD/IUPAC Name]
3-C-Carboxy-2,4-didesoxy-4-methyl-D-erythro-pentarsäure [German] [ACD/IUPAC Name]
Acide 3-C-carboxy-2,4-didésoxy-4-méthyl-D-érythro-pentarique [French] [ACD/IUPAC Name]
D-erythro-Pentaric acid, 3-C-carboxy-2,4-dideoxy-4-methyl- [ACD/Index Name]
(1S,2S)-2-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid
(2S,3S)-2-hydroxybutane-1,2,3-tricarboxylic acid
(2S,3S)-2-hydroxybutane-1,2,3-tricarboxylic acid; 3-C-carboxy-2,4-dideoxy-4-methyl-D-erythro-pentaric acid
(2S,3S)-2-methylcitrate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
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: 1.559
Molar Refractivity: 40.6±0.3 cm3
#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: 132 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 87.7±3.0 dyne/cm
Molar Volume: 125.9±3.0 cm3

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