ChemSpider 2D Image | Isojacareubin | C18H16O6

Isojacareubin

  • Molecular FormulaC18H16O6
  • Average mass328.316 Da
  • Monoisotopic mass328.094696 Da
  • ChemSpider ID28514885

More details:






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

1H,7H-Pyrano[2,3-c]xanthen-7-one, 2,3-dihydro-6,10,11-trihydroxy-3,3-dimethyl- [ACD/Index Name]
6,10,11-Trihydroxy-3,3-dimethyl-2,3-dihydro-1H,7H-pyrano[2,3-c]xanthen-7-on [German] [ACD/IUPAC Name]
6,10,11-Trihydroxy-3,3-dimethyl-2,3-dihydro-1H,7H-pyrano[2,3-c]xanthen-7-one [ACD/IUPAC Name]
6,10,11-Trihydroxy-3,3-diméthyl-2,3-dihydro-1H,7H-pyrano[2,3-c]xanthén-7-one [French] [ACD/IUPAC Name]
Isojacareubin [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 588.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 219.8±23.6 °C
Index of Refraction: 1.672
Molar Refractivity: 84.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 273.86
ACD/KOC (pH 5.5): 1889.16
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 21.53
ACD/KOC (pH 7.4): 148.52
Polar Surface Area: 96 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 225.2±3.0 cm3

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