ChemSpider 2D Image | EPISHAMIXANTHONE | C25H26O5

EPISHAMIXANTHONE

  • Molecular FormulaC25H26O5
  • Average mass406.471 Da
  • Monoisotopic mass406.178009 Da
  • ChemSpider ID52084946

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-1,11-Dihydroxy-2-isopropenyl-5-methyl-8-(3-methyl-2-buten-1-yl)-2,3-dihydropyrano[3,2-a]xanthen-12(1H)-on [German] [ACD/IUPAC Name]
(1R,2R)-1,11-Dihydroxy-2-isopropenyl-5-methyl-8-(3-methyl-2-buten-1-yl)-2,3-dihydropyrano[3,2-a]xanthen-12(1H)-one [ACD/IUPAC Name]
(1R,2R)-1,11-Dihydroxy-2-isopropényl-5-méthyl-8-(3-méthyl-2-butén-1-yl)-2,3-dihydropyrano[3,2-a]xanthén-12(1H)-one [French] [ACD/IUPAC Name]
60209-21-4 [RN]
EPISHAMIXANTHONE
Pyrano[3,2-a]xanthen-12(1H)-one, 2,3-dihydro-1,11-dihydroxy-5-methyl-8-(3-methyl-2-buten-1-yl)-2-(1-methylethenyl)-, (1R,2R)- [ACD/Index Name]

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

GB2O24O73L [DBID]
UNII:GB2O24O73L [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 593.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 202.7±23.6 °C
Index of Refraction: 1.622
Molar Refractivity: 114.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7544.69
ACD/KOC (pH 5.5): 20636.64
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 2887.95
ACD/KOC (pH 7.4): 7899.29
Polar Surface Area: 76 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 324.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement