ChemSpider 2D Image | 9b-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl N-acetylvalinate | C22H33NO6

9b-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl N-acetylvalinate

  • Molecular FormulaC22H33NO6
  • Average mass407.500 Da
  • Monoisotopic mass407.230774 Da
  • ChemSpider ID22943272

More details:

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

9b-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl N-acetylvalinate [ACD/IUPAC Name]
9b-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl-N-acetylvalinat [German] [ACD/IUPAC Name]
N-Acétylvalinate de 9b-hydroxy-6,6,9a-triméthyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-décahydronaphto[1,2-c]furan-9-yle [French] [ACD/IUPAC Name]
Valine, N-acetyl-, 1,3,5,5a,6,7,8,9,9a,9b-decahydro-9b-hydroxy-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-9-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 590.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.1±6.0 kJ/mol
Flash Point: 310.9±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 106.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.28
ACD/KOC (pH 5.5): 558.25
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.27
ACD/KOC (pH 7.4): 558.22
Polar Surface Area: 102 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 338.1±5.0 cm3

Click to predict properties on the Chemicalize site


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