ChemSpider 2D Image | (4xi)-3,4-Anhydro-3-carboxy-2-deoxy-D-glycero-pentaric acid | C6H6O7

(4ξ)-3,4-Anhydro-3-carboxy-2-deoxy-D-glycero-pentaric acid

  • Molecular FormulaC6H6O7
  • Average mass190.108 Da
  • Monoisotopic mass190.011353 Da
  • ChemSpider ID90660100

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4ξ)-3,4-Anhydro-3-carboxy-2-deoxy-D-glycero-pentaric acid [ACD/IUPAC Name]
(4ξ)-3,4-Anhydro-3-carboxy-2-desoxy-D-glycero-pentarsäure [German] [ACD/IUPAC Name]
Acide (4ξ)-3,4-anhydro-3-carboxy-2-désoxy-D-glycéro-pentarique [French] [ACD/IUPAC Name]
D-glycero-Pentaric acid, 3,4-anhydro-3-C-carboxy-2-deoxy-, (4ξ)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 611.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 99.2±6.0 kJ/mol
Flash Point: 261.2±25.0 °C
Index of Refraction: 1.596
Molar Refractivity: 33.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -6.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 109.8±3.0 dyne/cm
Molar Volume: 99.4±3.0 cm3

Click to predict properties on the Chemicalize site


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