ChemSpider 2D Image | (1R,2R,3S,6R)-7-Oxabicyclo[4.1.0]heptane-1,2,3,6-tetrol | C6H10O5

(1R,2R,3S,6R)-7-Oxabicyclo[4.1.0]heptane-1,2,3,6-tetrol

  • Molecular FormulaC6H10O5
  • Average mass162.141 Da
  • Monoisotopic mass162.052826 Da
  • ChemSpider ID24534212
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1R,2R,3S,6R)-7-Oxabicyclo[4.1.0]heptan-1,2,3,6-tetrol [German] [ACD/IUPAC Name]
(1R,2R,3S,6R)-7-Oxabicyclo[4.1.0]heptane-1,2,3,6-tetrol [ACD/IUPAC Name]
(1R,2R,3S,6R)-7-Oxabicyclo[4.1.0]heptane-1,2,3,6-tétrol [French] [ACD/IUPAC Name]
7-Oxabicyclo[4.1.0]heptane-1,2,3,6-tetrol, (1R,2R,3S,6R)- [ACD/Index Name]
Cyclohexene-1,2,3,4-tetrol epoxide, (1α,2β,3α,4β)

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

Density: 2.2±0.1 g/cm3
Boiling Point: 310.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.0±6.0 kJ/mol
Flash Point: 141.8±27.9 °C
Index of Refraction: 1.870
Molar Refractivity: 33.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.33
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.34
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.34
Polar Surface Area: 93 Å2
Polarizability: 13.3±0.5 10-24cm3
Surface Tension: 171.2±3.0 dyne/cm
Molar Volume: 73.7±3.0 cm3

Click to predict properties on the Chemicalize site






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