ChemSpider 2D Image | (1S,3R,5S,6R,7S,8S,9R,10R)-5-Isopropyl-11-methylene-2-oxatricyclo[5.3.1.0~3,8~]undecane-6,8,9,10-tetrol | C14H22O5

(1S,3R,5S,6R,7S,8S,9R,10R)-5-Isopropyl-11-methylene-2-oxatricyclo[5.3.1.03,8]undecane-6,8,9,10-tetrol

  • Molecular FormulaC14H22O5
  • Average mass270.322 Da
  • Monoisotopic mass270.146729 Da
  • ChemSpider ID78439443

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,3R,5S,6R,7S,8S,9R,10R)-5-Isopropyl-11-methylen-2-oxatricyclo[5.3.1.03,8]undecan-6,8,9,10-tetrol [German] [ACD/IUPAC Name]
(1S,3R,5S,6R,7S,8S,9R,10R)-5-Isopropyl-11-methylene-2-oxatricyclo[5.3.1.03,8]undecane-6,8,9,10-tetrol [ACD/IUPAC Name]
(1S,3R,5S,6R,7S,8S,9R,10R)-5-Isopropyl-11-méthylène-2-oxatricyclo[5.3.1.03,8]undécane-6,8,9,10-tétrol [French] [ACD/IUPAC Name]
2,5-Methano-2H-1-benzopyran-3,4,4a,6(5H)-tetrol, hexahydro-9-methylene-7-(1-methylethyl)-, (2S,3R,4R,4aS,5S,6R,7S,8aR)- [ACD/Index Name]
1,2,6,10-tetrahydroxy-3,9-epoxy-14-nor-5(15)-eudesmane

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

Density: 1.4±0.1 g/cm3
Boiling Point: 446.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.4±6.0 kJ/mol
Flash Point: 224.0±28.7 °C
Index of Refraction: 1.596
Molar Refractivity: 68.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.53
ACD/KOC (pH 5.5): 67.71
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.53
ACD/KOC (pH 7.4): 67.71
Polar Surface Area: 90 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 199.9±5.0 cm3

Click to predict properties on the Chemicalize site


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