ChemSpider 2D Image | (1R,3S,4S,5S)-1,3,4-Trihydroxy-6-oxabicyclo[3.2.1]octan-7-one | C7H10O5

(1R,3S,4S,5S)-1,3,4-Trihydroxy-6-oxabicyclo[3.2.1]octan-7-one

  • Molecular FormulaC7H10O5
  • Average mass174.151 Da
  • Monoisotopic mass174.052826 Da
  • ChemSpider ID110594937

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3S,4S,5S)-1,3,4-Trihydroxy-6-oxabicyclo[3.2.1]octan-7-on [German] [ACD/IUPAC Name]
(1R,3S,4S,5S)-1,3,4-Trihydroxy-6-oxabicyclo[3.2.1]octan-7-one [ACD/IUPAC Name]
(1R,3S,4S,5S)-1,3,4-Trihydroxy-6-oxabicyclo[3.2.1]octan-7-one [French] [ACD/IUPAC Name]
6-Oxabicyclo[3.2.1]octan-7-one, 1,3,4-trihydroxy-, (1R,3S,4S,5S)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 395.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.6±6.0 kJ/mol
Flash Point: 170.7±21.4 °C
Index of Refraction: 1.689
Molar Refractivity: 36.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.00
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.66
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.66
Polar Surface Area: 87 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 119.3±3.0 dyne/cm
Molar Volume: 96.2±3.0 cm3

Click to predict properties on the Chemicalize site


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