ChemSpider 2D Image | Methyl 4,5-dihydroxy-6-(2-hydroxyethyl)-8-methoxy-9-oxo-9H-xanthene-1-carboxylate | C18H16O8

Methyl 4,5-dihydroxy-6-(2-hydroxyethyl)-8-methoxy-9-oxo-9H-xanthene-1-carboxylate

  • Molecular FormulaC18H16O8
  • Average mass360.315 Da
  • Monoisotopic mass360.084503 Da
  • ChemSpider ID67172872

More details:

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

4,5-Dihydroxy-6-(2-hydroxyéthyl)-8-méthoxy-9-oxo-9H-xanthène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
9H-Xanthene-1-carboxylic acid, 4,5-dihydroxy-6-(2-hydroxyethyl)-8-methoxy-9-oxo-, methyl ester [ACD/Index Name]
Methyl 4,5-dihydroxy-6-(2-hydroxyethyl)-8-methoxy-9-oxo-9H-xanthene-1-carboxylate [ACD/IUPAC Name]
Methyl-4,5-dihydroxy-6-(2-hydroxyethyl)-8-methoxy-9-oxo-9H-xanthen-1-carboxylat [German] [ACD/IUPAC Name]
4,5-dihydroxy-3-(2-hydroxyethyl)-1-methoxy-8-methoxycarbonyl xanthone
4,5-dihydroxy-3-(2-hydroxyethyl)-1-methoxy-8-methoxycarbonylxanthone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 636.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 234.0±25.0 °C
Index of Refraction: 1.653
Molar Refractivity: 88.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.53
ACD/KOC (pH 5.5): 167.93
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.45
Polar Surface Area: 123 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 68.5±3.0 dyne/cm
Molar Volume: 242.7±3.0 cm3

Click to predict properties on the Chemicalize site


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