ChemSpider 2D Image | 1,4:3,6-Dianhydro-L-sorbose | C6H8O4

1,4:3,6-Dianhydro-L-sorbose

  • Molecular FormulaC6H8O4
  • Average mass144.125 Da
  • Monoisotopic mass144.042252 Da
  • ChemSpider ID61414663

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,4:3,6-Dianhydro-L-sorbose [German] [ACD/IUPAC Name]
1,4:3,6-Dianhydro-L-sorbose [ACD/IUPAC Name]
1,4:3,6-Dianhydro-L-sorbose [French] [ACD/IUPAC Name]
L-Sorbose, 1,4:3,6-dianhydro- [ACD/Index Name]
(1s,4s,5r)-4-hydroxy-2,6-dioxabicyclo[3.3.0]octan-8-one
13241-38-8 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 356.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.6±6.0 kJ/mol
Flash Point: 160.0±21.4 °C
Index of Refraction: 1.535
Molar Refractivity: 30.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.29
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.29
Polar Surface Area: 56 Å2
Polarizability: 12.2±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 98.5±3.0 cm3

Click to predict properties on the Chemicalize site


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