ChemSpider 2D Image | (4aR,5R,7aS,8S,9aS)-5,8-Dihydroxy-3,5,8-trimethyl-4a,5,6,7,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2(4H)-one | C15H22O4

(4aR,5R,7aS,8S,9aS)-5,8-Dihydroxy-3,5,8-trimethyl-4a,5,6,7,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2(4H)-one

  • Molecular FormulaC15H22O4
  • Average mass266.333 Da
  • Monoisotopic mass266.151794 Da
  • ChemSpider ID30826809

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4aR,5R,7aS,8S,9aS)-5,8-Dihydroxy-3,5,8-trimethyl-4a,5,6,7,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2(4H)-on [German] [ACD/IUPAC Name]
(4aR,5R,7aS,8S,9aS)-5,8-Dihydroxy-3,5,8-trimethyl-4a,5,6,7,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2(4H)-one [ACD/IUPAC Name]
(4aR,5R,7aS,8S,9aS)-5,8-Dihydroxy-3,5,8-triméthyl-4a,5,6,7,7a,8,9,9a-octahydroazuléno[6,5-b]furan-2(4H)-one [French] [ACD/IUPAC Name]
Azuleno[6,5-b]furan-2(4H)-one, 4a,5,6,7,7a,8,9,9a-octahydro-5,8-dihydroxy-3,5,8-trimethyl-, (4aR,5R,7aS,8S,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: 462.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.4±6.0 kJ/mol
Flash Point: 173.1±22.2 °C
Index of Refraction: 1.567
Molar Refractivity: 69.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.52
ACD/KOC (pH 5.5): 85.70
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.52
ACD/KOC (pH 7.4): 85.70
Polar Surface Area: 67 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 213.5±5.0 cm3

Click to predict properties on the Chemicalize site


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