ChemSpider 2D Image | aspergixanthone F | C28H32O9

aspergixanthone F

  • Molecular FormulaC28H32O9
  • Average mass512.548 Da
  • Monoisotopic mass512.204651 Da
  • ChemSpider ID68003741

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R)-1-[(1R,2S)-1,11-Dihydroxy-2-isopropenyl-5-methyl-12-oxo-1,2,3,12-tetrahydropyrano[3,2-a]xanthen-8-yl]-3-hydroxy-1-methoxy-3-methyl-2-butanyl acetate [ACD/IUPAC Name]
(1R,2R)-1-[(1R,2S)-1,11-Dihydroxy-2-isopropenyl-5-methyl-12-oxo-1,2,3,12-tetrahydropyrano[3,2-a]xanthen-8-yl]-3-hydroxy-1-methoxy-3-methyl-2-butanyl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R,2R)-1-[(1R,2S)-1,11-dihydroxy-2-isopropényl-5-méthyl-12-oxo-1,2,3,12-tétrahydropyrano[3,2-a]xanthén-8-yl]-3-hydroxy-1-méthoxy-3-méthyl-2-butanyle [French] [ACD/IUPAC Name]
aspergixanthone F
Pyrano[3,2-a]xanthen-12(1H)-one, 8-[(1R,2R)-2-(acetyloxy)-3-hydroxy-1-methoxy-3-methylbutyl]-2,3-dihydro-1,11-dihydroxy-5-methyl-2-(1-methylethenyl)-, (1R,2S)- [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: 698.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 229.9±25.0 °C
Index of Refraction: 1.601
Molar Refractivity: 133.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 676.89
ACD/KOC (pH 5.5): 3659.50
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 185.05
ACD/KOC (pH 7.4): 1000.43
Polar Surface Area: 132 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 389.1±3.0 cm3

Click to predict properties on the Chemicalize site


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