ChemSpider 2D Image | Asperentin | C16H20O5

Asperentin

  • Molecular FormulaC16H20O5
  • Average mass292.327 Da
  • Monoisotopic mass292.131073 Da
  • ChemSpider ID29368026

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-[[(2R,6S)-tetrahydro-6-methyl-2H-pyran-2-yl]methyl]- [ACD/Index Name]
6,8-Dihydroxy-3-{[(2R,6S)-6-methyltetrahydro-2H-pyran-2-yl]methyl}-3,4-dihydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
6,8-Dihydroxy-3-{[(2R,6S)-6-methyltetrahydro-2H-pyran-2-yl]methyl}-3,4-dihydro-1H-isochromen-1-one [ACD/IUPAC Name]
6,8-Dihydroxy-3-{[(2R,6S)-6-méthyltétrahydro-2H-pyran-2-yl]méthyl}-3,4-dihydro-1H-isochromén-1-one [French] [ACD/IUPAC Name]
Asperentin
3,4-dihydro-6,8-dihydroxy-3-(tetrahydro-6-methyl-H-pyran-2-yl)methylisocoumarin
35818-31-6 [RN]
cladosporin
  • Miscellaneous

    • Chemical Class:

      A member of the class of isocoumarins that is 6,8-dihydroxy-3,4-dihydro-1<element>H</element>-isochromen-1-one substituted by a [6-methyltetrahydro-2<element>H</element>-pyran-2-yl]methyl group at po sition 3. It has been isolated from the fungus <ital>Chaetomium globosum</ital> and <ital>Aspergillus flavus</ital>. ChEBI CHEBI:68792
      A member of the class of isocoumarins that is 6,8-dihydroxy-3,4-dihydro-1H-isochromen-1-one substituted by a [6-methyltetrahydro-2H-pyran-2-yl]methyl group at po; sition 3. It has been isolated from the fungus Chaetomium globosum and Aspergillus flavus. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68792
      A member of the class of isocoumarins that is 6,8-dihydroxy-3,4-dihydro-1H-isochromen-1-one substituted by a [6-methyltetrahydro-2H-pyran-2-yl]methyl group at position 3. It has been isolated from th e fungus Chaetomium globosum and Aspergillus flavus. ChEBI CHEBI:68792

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

Density: 1.3±0.1 g/cm3
Boiling Point: 543.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 204.0±22.2 °C
Index of Refraction: 1.570
Molar Refractivity: 76.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 187.50
ACD/KOC (pH 5.5): 1473.33
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 155.15
ACD/KOC (pH 7.4): 1219.06
Polar Surface Area: 76 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 231.8±3.0 cm3

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