ChemSpider 2D Image | (3aS,3bR,7aS,8S)-3a-Hydroxy-8-isopropyl-3b,7a-dimethyl-3-methylenedodecahydrofuro[3',2':6,7]azuleno[4,5-b]furan-5,10-dione | C20H28O5

(3aS,3bR,7aS,8S)-3a-Hydroxy-8-isopropyl-3b,7a-dimethyl-3-methylenedodecahydrofuro[3',2':6,7]azuleno[4,5-b]furan-5,10-dione

  • Molecular FormulaC20H28O5
  • Average mass348.433 Da
  • Monoisotopic mass348.193665 Da
  • ChemSpider ID32679169

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(3aS,3bR,7aS,8S)-3a-Hydroxy-8-isopropyl-3b,7a-dimethyl-3-methylendodecahydrofuro[3',2':6,7]azuleno[4,5-b]furan-5,10-dion [German] [ACD/IUPAC Name]
(3aS,3bR,7aS,8S)-3a-Hydroxy-8-isopropyl-3b,7a-dimethyl-3-methylenedodecahydrofuro[3',2':6,7]azuleno[4,5-b]furan-5,10-dione [ACD/IUPAC Name]
(3aS,3bR,7aS,8S)-3a-Hydroxy-8-isopropyl-3b,7a-diméthyl-3-méthylènedodécahydrofuro[3',2':6,7]azuléno[4,5-b]furane-5,10-dione [French] [ACD/IUPAC Name]
Azuleno[4,5-b:7,6-b']difuran-5,10-dione, dodecahydro-3a-hydroxy-3b,7a-dimethyl-3-methylene-8-(1-methylethyl)-, (3aS,3bR,7aS,8S)- [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: 510.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 178.9±23.6 °C
Index of Refraction: 1.552
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.08
ACD/KOC (pH 5.5): 141.22
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.08
ACD/KOC (pH 7.4): 141.22
Polar Surface Area: 73 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 285.2±5.0 cm3

Click to predict properties on the Chemicalize site


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