ChemSpider 2D Image | 3-Carboxy-3-deoxy-D-xylulosaric acid | C6H6O8

3-Carboxy-3-deoxy-D-xylulosaric acid

  • Molecular FormulaC6H6O8
  • Average mass206.107 Da
  • Monoisotopic mass206.006271 Da
  • ChemSpider ID32809699

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Carboxy-3-deoxy-D-xylulosaric acid [ACD/IUPAC Name]
Acide 3-carboxy-3-désoxy-D-xylulosarique [French] [ACD/IUPAC Name]
D-threo-2-Pentulosaric acid, 3-carboxy-3-deoxy- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 439.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±6.0 kJ/mol
Flash Point: 233.9±25.2 °C
Index of Refraction: 1.589
Molar Refractivity: 36.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.07
ACD/LogD (pH 5.5): -7.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 118.9±3.0 dyne/cm
Molar Volume: 106.8±3.0 cm3

Click to predict properties on the Chemicalize site


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