ChemSpider 2D Image | globosuxanthone B | C16H16O8

globosuxanthone B

  • Molecular FormulaC16H16O8
  • Average mass336.293 Da
  • Monoisotopic mass336.084503 Da
  • ChemSpider ID30785582

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R,3S)-1,2,8-Trihydroxy-3-méthoxy-9-oxo-2,3,4,9-tétrahydro-1H-xanthène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Xanthene-1-carboxylic acid, 2,3,4,9-tetrahydro-1,2,8-trihydroxy-3-methoxy-9-oxo-, methyl ester, (1R,2R,3S)- [ACD/Index Name]
globosuxanthone B
Methyl (1R,2R,3S)-1,2,8-trihydroxy-3-methoxy-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,3S)-1,2,8-trihydroxy-3-methoxy-9-oxo-2,3,4,9-tetrahydro-1H-xanthen-1-carboxylat [German] [ACD/IUPAC Name]
1R*,2R*,8-trihydroxy-3S*-methoxy-1,2,3,4-tetrahydroxanthenone-1-carboxylic acid ester
rel-methyl (1R,2R,3S)-1,2,8-trihydroxy-3-methoxy-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate
  • Miscellaneous

    • Chemical Class:

      A member of the class of xanthones that is methyl-9-oxo-2,3,4,9-tetrahydro-1<element>H</element>-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8 and a methoxy group at pos ition 3 (the 1<stereo>R</stereo>,2<stereo>R</stereo>,3<stereo>S</stereo> stereoisomer). It has been isolated from <ital>Chaetomium globosum</ital>. ChEBI CHEBI:68713
      A member of the class of xanthones that is methyl-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8 and a methoxy group at pos; ition 3 (the 1R,2 R,3S stereoisomer). It has been isolated from Chaetomium globosum. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68713
      A member of the class of xanthones that is methyl-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8 and a methoxy group at position 3 (the 1R,2R, 3S stereoisomer). It has been isolated from Chaetomium globosum. ChEBI CHEBI:68713

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

Density: 1.6±0.1 g/cm3
Boiling Point: 524.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 194.2±23.6 °C
Index of Refraction: 1.650
Molar Refractivity: 78.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.99
ACD/KOC (pH 5.5): 192.39
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 4.30
ACD/KOC (pH 7.4): 75.39
Polar Surface Area: 123 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 76.9±5.0 dyne/cm
Molar Volume: 214.9±5.0 cm3

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