ChemSpider 2D Image | 1,4,8-Trihydroxy-3-methoxy-5-(1,1,1-trihydroxy-2-butanyl)-9H-xanthen-9-one | C18H18O9

1,4,8-Trihydroxy-3-methoxy-5-(1,1,1-trihydroxy-2-butanyl)-9H-xanthen-9-one

  • Molecular FormulaC18H18O9
  • Average mass378.330 Da
  • Monoisotopic mass378.095093 Da
  • ChemSpider ID67171794

More details:






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

1,4,8-Trihydroxy-3-methoxy-5-(1,1,1-trihydroxy-2-butanyl)-9H-xanthen-9-on [German] [ACD/IUPAC Name]
1,4,8-Trihydroxy-3-methoxy-5-(1,1,1-trihydroxy-2-butanyl)-9H-xanthen-9-one [ACD/IUPAC Name]
1,4,8-Trihydroxy-3-méthoxy-5-(1,1,1-trihydroxy-2-butanyl)-9H-xanthén-9-one [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 1,4,8-trihydroxy-3-methoxy-5-[1-(trihydroxymethyl)propyl]- [ACD/Index Name]
3-methoxy-1,4,8-trihydroxy-5-(1',3',4'-trihydroxybutan-2'-yl)-xanthone

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

Density: 1.6±0.1 g/cm3
Boiling Point: 651.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 237.3±25.0 °C
Index of Refraction: 1.716
Molar Refractivity: 91.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.31
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.17
ACD/LogD (pH 7.4): -0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.33
Polar Surface Area: 157 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 91.7±3.0 dyne/cm
Molar Volume: 232.0±3.0 cm3

Click to predict properties on the Chemicalize site






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