ChemSpider 2D Image | (4xi)-3-Carboxy-2,3-dideoxy-D-glycero-pentaric acid | C6H8O7

(4ξ)-3-Carboxy-2,3-dideoxy-D-glycero-pentaric acid

  • Molecular FormulaC6H8O7
  • Average mass192.124 Da
  • Monoisotopic mass192.027008 Da
  • ChemSpider ID78442099

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4ξ)-3-Carboxy-2,3-dideoxy-D-glycero-pentaric acid [ACD/IUPAC Name]
(4ξ)-3-Carboxy-2,3-didesoxy-D-glycero-pentarsäure [German] [ACD/IUPAC Name]
Acide (4ξ)-3-carboxy-2,3-didésoxy-D-glycéro-pentarique [French] [ACD/IUPAC Name]
D-glycero-Pentaric acid, 3-carboxy-2,3-dideoxy-, (4ξ)- [ACD/Index Name]
Isocitronensaeure

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

Density: 1.8±0.1 g/cm3
Boiling Point: 329.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.3±6.0 kJ/mol
Flash Point: 167.4±24.4 °C
Index of Refraction: 1.570
Molar Refractivity: 36.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.47
ACD/LogD (pH 5.5): -5.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 100.9±3.0 dyne/cm
Molar Volume: 109.7±3.0 cm3

Click to predict properties on the Chemicalize site


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