ChemSpider 2D Image | (4aS,5S,7aS,8S)-5,8-Dihydroxy-3,5,8-trimethyl-4a,5,6,7,7a,8-hexahydroazuleno[6,5-b]furan-2(4H)-one | C15H20O4

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

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID30826812

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aS,5S,7aS,8S)-5,8-Dihydroxy-3,5,8-trimethyl-4a,5,6,7,7a,8-hexahydroazuleno[6,5-b]furan-2(4H)-on [German] [ACD/IUPAC Name]
(4aS,5S,7aS,8S)-5,8-Dihydroxy-3,5,8-trimethyl-4a,5,6,7,7a,8-hexahydroazuleno[6,5-b]furan-2(4H)-one [ACD/IUPAC Name]
(4aS,5S,7aS,8S)-5,8-Dihydroxy-3,5,8-triméthyl-4a,5,6,7,7a,8-hexahydroazuléno[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-hexahydro-5,8-dihydroxy-3,5,8-trimethyl-, (4aS,5S,7aS,8S)- [ACD/Index 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: 490.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 186.2±22.2 °C
Index of Refraction: 1.589
Molar Refractivity: 69.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.35
ACD/KOC (pH 5.5): 99.69
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.35
ACD/KOC (pH 7.4): 99.69
Polar Surface Area: 67 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 206.1±5.0 cm3

Click to predict properties on the Chemicalize site


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