ChemSpider 2D Image | aspergixanthone G | C27H28O8

aspergixanthone G

  • Molecular FormulaC27H28O8
  • Average mass480.506 Da
  • Monoisotopic mass480.178406 Da
  • ChemSpider ID68003742

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S)-8-[(1R,2S)-1,2-Dihydroxy-3-methyl-3-buten-1-yl]-11-hydroxy-2-isopropenyl-5-methyl-12-oxo-1,2,3,12-tetrahydropyrano[3,2-a]xanthen-1-yl acetate [ACD/IUPAC Name]
(1R,2S)-8-[(1R,2S)-1,2-Dihydroxy-3-methyl-3-buten-1-yl]-11-hydroxy-2-isopropenyl-5-methyl-12-oxo-1,2,3,12-tetrahydropyrano[3,2-a]xanthen-1-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R,2S)-8-[(1R,2S)-1,2-dihydroxy-3-méthyl-3-butén-1-yl]-11-hydroxy-2-isopropényl-5-méthyl-12-oxo-1,2,3,12-tétrahydropyrano[3,2-a]xanthén-1-yle [French] [ACD/IUPAC Name]
aspergixanthone G
Pyrano[3,2-a]xanthen-12(1H)-one, 1-(acetyloxy)-8-[(1R,2S)-1,2-dihydroxy-3-methyl-3-buten-1-yl]-2,3-dihydro-11-hydroxy-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: 1.4±0.1 g/cm3
Boiling Point: 684.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 229.4±25.0 °C
Index of Refraction: 1.638
Molar Refractivity: 125.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 877.86
ACD/KOC (pH 5.5): 4417.36
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 283.83
ACD/KOC (pH 7.4): 1428.24
Polar Surface Area: 123 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 350.0±5.0 cm3

Click to predict properties on the Chemicalize site


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