ChemSpider 2D Image | (1S,3R,9S,10R)-9-Hydroxy-3-(~13~C)methyl(2,6,8,10-~13~C_4_)-4,11-dioxabicyclo[8.1.0]undecane-5,7-dione | C513C5H14O5

(1S,3R,9S,10R)-9-Hydroxy-3-(13C)methyl(2,6,8,10-13C4)-4,11-dioxabicyclo[8.1.0]undecane-5,7-dione

  • Molecular FormulaC513C5H14O5
  • Average mass219.178 Da
  • Monoisotopic mass219.100891 Da
  • ChemSpider ID8596390

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S,3R,9S,10R)-9-Hydroxy-3-(13C)methyl(2,6,8,10-13C4)-4,11-dioxabicyclo[8.1.0]undecan-5,7-dion [German] [ACD/IUPAC Name]
(1S,3R,9S,10R)-9-Hydroxy-3-(13C)methyl(2,6,8,10-13C4)-4,11-dioxabicyclo[8.1.0]undecane-5,7-dione [ACD/IUPAC Name]
(1S,3R,9S,10R)-9-Hydroxy-3-(13C)méthyl(2,6,8,10-13C4)-4,11-dioxabicyclo[8.1.0]undécane-5,7-dione [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.498
Molar Refractivity: 49.3±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 168.2±3.0 cm3

Click to predict properties on the Chemicalize site


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