ChemSpider 2D Image | [(4R)-4-Hydroxy-3,6-dioxo-1,2-dioxan-4-yl]acetic acid | C6H6O7

[(4R)-4-Hydroxy-3,6-dioxo-1,2-dioxan-4-yl]acetic acid

  • Molecular FormulaC6H6O7
  • Average mass190.108 Da
  • Monoisotopic mass190.011353 Da
  • ChemSpider ID61716880

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(4R)-4-Hydroxy-3,6-dioxo-1,2-dioxan-4-yl]acetic acid [ACD/IUPAC Name]
[(4R)-4-Hydroxy-3,6-dioxo-1,2-dioxan-4-yl]essigsäure [German] [ACD/IUPAC Name]
1,2-Dioxane-4-acetic acid, 4-hydroxy-3,6-dioxo-, (4R)- [ACD/Index Name]
Acide [(4R)-4-hydroxy-3,6-dioxo-1,2-dioxan-4-yl]acétique [French] [ACD/IUPAC Name]
CITRATE ANION
FLC

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

Density: 1.7±0.1 g/cm3
Boiling Point: 412.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±6.0 kJ/mol
Flash Point: 178.2±25.0 °C
Index of Refraction: 1.541
Molar Refractivity: 34.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -3.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 80.7±3.0 dyne/cm
Molar Volume: 109.2±3.0 cm3

Click to predict properties on the Chemicalize site


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