ChemSpider 2D Image | sydowinin B | C16H12O7

sydowinin B

  • Molecular FormulaC16H12O7
  • Average mass316.262 Da
  • Monoisotopic mass316.058289 Da
  • ChemSpider ID24022603

More details:

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

2,8-Dihydroxy-6-(hydroxyméthyl)-9-oxo-9H-xanthène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
58450-00-3 [RN]
9H-Xanthene-1-carboxylic acid, 2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-, methyl ester [ACD/Index Name]
Methyl 2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-9H-xanthene-1-carboxylate [ACD/IUPAC Name]
Methyl-2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-9H-xanthen-1-carboxylat [German] [ACD/IUPAC Name]
sydowinin B
9H-Xanthene-1-carboxylic acid,2,8-dihydroxy-6-(hydroxymethyl)-9- oxo-,methyl ester
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68228

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

R78YLI0R53 [DBID]
UNII:R78YLI0R53 [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of xanthones that is methyl 9<element>H</element>-xanthene-1-carboxylate substituted by hydroxy group at positions 2 and 8, a hydroxymethyl group at position 6 and an oxo group a t position 9. It has been isolated from the sea fan derived fungus <ital>Aspergillus sydowii</ital>. ChEBI CHEBI:68228
      A member of the class of xanthones that is methyl 9H-xanthene-1-carboxylate substituted by hydroxy group at positions 2 and 8, a hydroxymethyl group at position 6 and an oxo group a; t position 9. It has been isolated from the sea fan derived fungus Aspergillus sydowii. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68228

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

Density: 1.6±0.1 g/cm3
Boiling Point: 612.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 233.0±25.0 °C
Index of Refraction: 1.693
Molar Refractivity: 77.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 72.53
ACD/KOC (pH 5.5): 728.42
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 9.30
ACD/KOC (pH 7.4): 93.39
Polar Surface Area: 113 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 77.3±3.0 dyne/cm
Molar Volume: 202.2±3.0 cm3

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