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

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

  • Molecular FormulaC18H18O9
  • Average mass378.330 Da
  • Monoisotopic mass378.095093 Da
  • ChemSpider ID78435033

More details:






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

1,3,4-Trihydroxy-8-methoxy-5-(1,3,4-trihydroxy-2-butanyl)-9H-xanthen-9-on [German] [ACD/IUPAC Name]
1,3,4-Trihydroxy-8-methoxy-5-(1,3,4-trihydroxy-2-butanyl)-9H-xanthen-9-one [ACD/IUPAC Name]
1,3,4-Trihydroxy-8-méthoxy-5-(1,3,4-trihydroxy-2-butanyl)-9H-xanthén-9-one [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 5-[2,3-dihydroxy-1-(hydroxymethyl)propyl]-1,3,4-trihydroxy-8-methoxy- [ACD/Index Name]
8-methoxy-1,3,4-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: 729.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 266.7±26.4 °C
Index of Refraction: 1.714
Molar Refractivity: 91.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.53
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.45
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.85
Polar Surface Area: 157 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 92.0±3.0 dyne/cm
Molar Volume: 232.4±3.0 cm3

Click to predict properties on the Chemicalize site






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