ChemSpider 2D Image | 1-Hydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9-oxo-9H-xanthene-3,6-diyl diacetate | C28H30O8

1-Hydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9-oxo-9H-xanthene-3,6-diyl diacetate

  • Molecular FormulaC28H30O8
  • Average mass494.533 Da
  • Monoisotopic mass494.194061 Da
  • ChemSpider ID23339387

More details:

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

1-Hydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9-oxo-9H-xanthen-3,6-diyl-diacetat [German] [ACD/IUPAC Name]
1-Hydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9-oxo-9H-xanthene-3,6-diyl diacetate [ACD/IUPAC Name]
9H-Xanthen-9-one, 3,6-bis(acetyloxy)-1-hydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)- [ACD/Index Name]
Diacétate de 1-hydroxy-7-méthoxy-2,8-bis(3-méthyl-2-butén-1-yl)-9-oxo-9H-xanthène-3,6-diyle [French] [ACD/IUPAC Name]
1-hydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9-oxo-9H-xanthene-3,6-diyl diacetate
di-O-acetylmangostin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465553/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 651.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 213.0±25.0 °C
Index of Refraction: 1.577
Molar Refractivity: 133.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9316.07
ACD/KOC (pH 5.5): 23467.57
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1109.79
ACD/KOC (pH 7.4): 2795.60
Polar Surface Area: 108 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 402.8±3.0 cm3

Click to predict properties on the Chemicalize site


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