ChemSpider 2D Image | asperxanthone | C18H12O6

asperxanthone

  • Molecular FormulaC18H12O6
  • Average mass324.284 Da
  • Monoisotopic mass324.063385 Da
  • ChemSpider ID27023960

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,12aR)-10-Hydroxy-4-methoxy-3a,12a-dihydro-11H-furo[3',2':4,5]furo[2,3-a]xanthen-11-on [German] [ACD/IUPAC Name]
(3aS,12aR)-10-Hydroxy-4-methoxy-3a,12a-dihydro-11H-furo[3',2':4,5]furo[2,3-a]xanthen-11-one [ACD/IUPAC Name]
(3aS,12aR)-10-Hydroxy-4-méthoxy-3a,12a-dihydro-11H-furo[3',2':4,5]furo[2,3-a]xanthén-11-one [French] [ACD/IUPAC Name]
11H-Furo[3',2':4,5]furo[2,3-a]xanthen-11-one, 3a,12a-dihydro-10-hydroxy-4-methoxy-, (3aS,12aR)- [ACD/Index Name]
asperxanthone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 569.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 215.9±23.6 °C
Index of Refraction: 1.686
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 57.78
ACD/KOC (pH 5.5): 627.82
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 14.35
ACD/KOC (pH 7.4): 155.87
Polar Surface Area: 74 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 214.8±3.0 cm3

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