ChemSpider 2D Image | (3S,4S,4aR,7aR,8S,9aR)-4-Hydroxy-3,4a,8-trimethyl-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione | C15H20O4

(3S,4S,4aR,7aR,8S,9aR)-4-Hydroxy-3,4a,8-trimethyl-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID21243746

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,4S,4aR,7aR,8S,9aR)-4-Hydroxy-3,4a,8-trimethyl-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dion [German] [ACD/IUPAC Name]
(3S,4S,4aR,7aR,8S,9aR)-4-Hydroxy-3,4a,8-trimethyl-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione [ACD/IUPAC Name]
(3S,4S,4aR,7aR,8S,9aR)-4-Hydroxy-3,4a,8-triméthyl-3,3a,4,4a,7a,8,9,9a-octahydroazuléno[6,5-b]furane-2,5-dione [French] [ACD/IUPAC Name]
Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-3,4a,8-trimethyl-, (3S,4S,4aR,7aR,8S,9aR)- [ACD/Index Name]
11??,13-dihydrohelenalin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 451.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.0±6.0 kJ/mol
Flash Point: 169.5±22.2 °C
Index of Refraction: 1.530
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.37
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 46.54
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 46.54
Polar Surface Area: 64 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 221.7±3.0 cm3

Click to predict properties on the Chemicalize site


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