ChemSpider 2D Image | chaetoxanthone C | C20H19ClO6

chaetoxanthone C

  • Molecular FormulaC20H19ClO6
  • Average mass390.814 Da
  • Monoisotopic mass390.087006 Da
  • ChemSpider ID24707899

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
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4-Chlor-1,3-dihydroxy-8-methoxy-2-[(2R,6R)-6-methyltetrahydro-2H-pyran-2-yl]-9H-xanthen-9-on [German] [ACD/IUPAC Name]
4-Chloro-1,3-dihydroxy-8-methoxy-2-[(2R,6R)-6-methyltetrahydro-2H-pyran-2-yl]-9H-xanthen-9-one [ACD/IUPAC Name]
4-Chloro-1,3-dihydroxy-8-méthoxy-2-[(2R,6R)-6-méthyltétrahydro-2H-pyran-2-yl]-9H-xanthén-9-one [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 4-chloro-1,3-dihydroxy-8-methoxy-2-[(2R,6R)-tetrahydro-6-methyl-2H-pyran-2-yl]- [ACD/Index Name]
chaetoxanthone C
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL499872/
  • Miscellaneous

    • Chemical Class:

      A member of the class xanthones that is 9<element>H</element>-xanthen-9-one substituted by a chloro group at position 4, hydroxy groups at positions 1 and 3, a methoxy group at position 8 and a (2<ste reo>R</stereo>,6<stereo>R</stereo>)-6-methyltetrahydropyran-2-yl group at position 2. It is isolated from the marine derived fungus <ital>Chaetomium</ital> and has antiprotozoal activity. ChEBI CHEBI:65613
      A member of the class xanthones that is 9H-xanthen-9-one substituted by a chloro group at position 4, hydroxy groups at positions 1 and 3, a methoxy group at position 8 and a (2R,6R)-6-methyltetrahydr opyran-2-yl group at position 2. It is isolated from the marine derived fungus Chaetomium and has antiprotozoal activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65613, CHEBI:65613

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

Density: 1.4±0.1 g/cm3
Boiling Point: 605.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 319.7±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 98.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 664.82
ACD/KOC (pH 5.5): 2829.23
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 5.67
ACD/KOC (pH 7.4): 24.15
Polar Surface Area: 85 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 278.7±3.0 cm3

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