ChemSpider 2D Image | (1R,2R,3S,4S,5R,6S,7s)-Bicyclo[2.2.1]heptane-2,3,5,6,7-pentol | C7H12O5

(1R,2R,3S,4S,5R,6S,7s)-Bicyclo[2.2.1]heptane-2,3,5,6,7-pentol

  • Molecular FormulaC7H12O5
  • Average mass176.167 Da
  • Monoisotopic mass176.068466 Da
  • ChemSpider ID61666479

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1R,2R,3S,4S,5R,6S,7s)-Bicyclo[2.2.1]heptan-2,3,5,6,7-pentol [German] [ACD/IUPAC Name]
(1R,2R,3S,4S,5R,6S,7s)-Bicyclo[2.2.1]heptane-2,3,5,6,7-pentol [ACD/IUPAC Name]
(1R,2R,3S,4S,5R,6S,7s)-Bicyclo[2.2.1]heptane-2,3,5,6,7-pentol [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane-2,3,5,6,7-pentol, (2R,3S,5R,6S)- [ACD/Index Name]
129893-48-7 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 397.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.0±6.0 kJ/mol
Flash Point: 207.2±22.5 °C
Index of Refraction: 1.793
Molar Refractivity: 38.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -2.61
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.89
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.89
Polar Surface Area: 101 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 96.6±3.0 dyne/cm
Molar Volume: 90.1±3.0 cm3

Click to predict properties on the Chemicalize site


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