ChemSpider 2D Image | (3aR,4S,4aS,5S,7aS,8R,9aS)-5-Hydroxy-4a,8-dimethyl-3-methylene-2-oxododecahydroazuleno[6,5-b]furan-4-yl acetate | C17H24O5

(3aR,4S,4aS,5S,7aS,8R,9aS)-5-Hydroxy-4a,8-dimethyl-3-methylene-2-oxododecahydroazuleno[6,5-b]furan-4-yl acetate

  • Molecular FormulaC17H24O5
  • Average mass308.370 Da
  • Monoisotopic mass308.162384 Da
  • ChemSpider ID28486456

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3aR,4S,4aS,5S,7aS,8R,9aS)-5-Hydroxy-4a,8-dimethyl-3-methylen-2-oxododecahydroazuleno[6,5-b]furan-4-yl-acetat [German] [ACD/IUPAC Name]
(3aR,4S,4aS,5S,7aS,8R,9aS)-5-Hydroxy-4a,8-dimethyl-3-methylene-2-oxododecahydroazuleno[6,5-b]furan-4-yl acetate [ACD/IUPAC Name]
Acétate de (3aR,4S,4aS,5S,7aS,8R,9aS)-5-hydroxy-4a,8-diméthyl-3-méthylène-2-oxododécahydroazuléno[6,5-b]furan-4-yle [French] [ACD/IUPAC Name]
Azuleno[6,5-b]furan-2(3H)-one, 4-(acetyloxy)decahydro-5-hydroxy-4a,8-dimethyl-3-methylene-, (3aR,4S,4aS,5S,7aS,8R,9aS)- [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: 451.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.9±6.0 kJ/mol
Flash Point: 160.9±22.2 °C
Index of Refraction: 1.534
Molar Refractivity: 79.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.63
ACD/KOC (pH 5.5): 162.77
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.63
ACD/KOC (pH 7.4): 162.77
Polar Surface Area: 73 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 255.2±5.0 cm3

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