ChemSpider 2D Image | 3-Carboxy-2,3-dideoxy-4-C-methyl-D-threo-pentaric acid | C7H10O7

3-Carboxy-2,3-dideoxy-4-C-methyl-D-threo-pentaric acid

  • Molecular FormulaC7H10O7
  • Average mass206.150 Da
  • Monoisotopic mass206.042648 Da
  • ChemSpider ID26330193

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Carboxy-2,3-dideoxy-4-C-methyl-D-threo-pentaric acid [ACD/IUPAC Name]
3-Carboxy-2,3-didesoxy-4-C-methyl-D-threo-pentarsäure [German] [ACD/IUPAC Name]
Acide 3-carboxy-2,3-didésoxy-4-C-méthyl-D-thréo-pentarique [French] [ACD/IUPAC Name]
D-threo-Pentaric acid, 3-carboxy-2,3-dideoxy-4-C-methyl- [ACD/Index Name]
(1S,2R)-1-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid
71183-66-9 [RN]

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

UNII:ZC5YS92LCE [DBID]
ZC5YS92LCE [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 331.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.5±6.0 kJ/mol
Flash Point: 168.2±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: -1.12
ACD/LogD (pH 5.5): -5.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.78
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

Click to predict properties on the Chemicalize site


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