ChemSpider 2D Image | Methyl 8-hydroxy-6-(hydroxymethyl)-2-(methylsulfinyl)-9-oxo-9H-xanthene-1-carboxylate | C17H14O7S

Methyl 8-hydroxy-6-(hydroxymethyl)-2-(methylsulfinyl)-9-oxo-9H-xanthene-1-carboxylate

  • Molecular FormulaC17H14O7S
  • Average mass362.354 Da
  • Monoisotopic mass362.046021 Da
  • ChemSpider ID44210840

More details:

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

8-Hydroxy-6-(hydroxyméthyl)-2-(méthylsulfinyl)-9-oxo-9H-xanthène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
9H-Xanthene-1-carboxylic acid, 8-hydroxy-6-(hydroxymethyl)-2-(methylsulfinyl)-9-oxo-, methyl ester [ACD/Index Name]
Methyl 8-hydroxy-6-(hydroxymethyl)-2-(methylsulfinyl)-9-oxo-9H-xanthene-1-carboxylate [ACD/IUPAC Name]
Methyl-8-hydroxy-6-(hydroxymethyl)-2-(methylsulfinyl)-9-oxo-9H-xanthen-1-carboxylat [German] [ACD/IUPAC Name]
Huperxanthone C
methyl 8-hydroxy-6-(hydroxymethyl)-2-(methanesulfinyl)-9-oxo-9H-xanthene-1-carboxylate
sydoxanthone C
  • Miscellaneous

    • Chemical Class:

      A member of the class of xanthones that is 9H-xanthen-9-one substituted by methoxycarbonyl, methylsulfinyl, hydroxymethyl and hydroxy groups at positions 1, 2, 6 and 8, respectively. It is a natural p roduct isolated from the deep-sea-derived fungus Aspergillus sp. SCSIO Ind09F01. ChEBI CHEBI:192356

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

Density: 1.6±0.1 g/cm3
Boiling Point: 671.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 360.2±31.5 °C
Index of Refraction: 1.726
Molar Refractivity: 88.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.12
ACD/KOC (pH 5.5): 107.93
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.27
Polar Surface Area: 129 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 96.5±5.0 dyne/cm
Molar Volume: 222.0±5.0 cm3

Click to predict properties on the Chemicalize site


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