ChemSpider 2D Image | (1aS,10R,10aS)-4,5-Dihydroxy-10-methoxy-1a-methyl-10,10a-dihydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxirene-2,9-dione | C19H14O6

(1aS,10R,10aS)-4,5-Dihydroxy-10-methoxy-1a-methyl-10,10a-dihydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxirene-2,9-dione

  • Molecular FormulaC19H14O6
  • Average mass338.311 Da
  • Monoisotopic mass338.079041 Da
  • ChemSpider ID28642522

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1aS,10R,10aS)-4,5-Dihydroxy-10-methoxy-1a-methyl-10,10a-dihydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxiren-2,9-dion [German] [ACD/IUPAC Name]
(1aS,10R,10aS)-4,5-Dihydroxy-10-methoxy-1a-methyl-10,10a-dihydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxirene-2,9-dione [ACD/IUPAC Name]
(1aS,10R,10aS)-4,5-Dihydroxy-10-méthoxy-1a-méthyl-10,10a-dihydro-1aH-indéno[1',2':7,8]naphto[2,3-b]oxirène-2,9-dione [French] [ACD/IUPAC Name]
2H-Indeno[1',2':7,8]naphth[2,3-b]oxirene-2,9(1aH)-dione, 10,10a-dihydro-4,5-dihydroxy-10-methoxy-1a-methyl-, (1aS,10R,10aS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 610.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 228.4±25.0 °C
Index of Refraction: 1.745
Molar Refractivity: 84.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.48
ACD/KOC (pH 5.5): 381.15
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 13.36
ACD/KOC (pH 7.4): 178.85
Polar Surface Area: 96 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 86.9±5.0 dyne/cm
Molar Volume: 208.3±5.0 cm3

Click to predict properties on the Chemicalize site


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