ChemSpider 2D Image | microdiplodiasol | C15H18O7

microdiplodiasol

  • Molecular FormulaC15H18O7
  • Average mass310.299 Da
  • Monoisotopic mass310.105255 Da
  • ChemSpider ID26343794

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4S,4aS,9aR)-1,4,8,9a-Tetrahydroxy-6-(hydroxymethyl)-4a-methyl-1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-on [German] [ACD/IUPAC Name]
(1S,4S,4aS,9aR)-1,4,8,9a-Tetrahydroxy-6-(hydroxymethyl)-4a-methyl-1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one [ACD/IUPAC Name]
(1S,4S,4aS,9aR)-1,4,8,9a-Tétrahydroxy-6-(hydroxyméthyl)-4a-méthyl-1,2,3,4,4a,9a-hexahydro-9H-xanthén-9-one [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 1,2,3,4,4a,9a-hexahydro-1,4,8,9a-tetrahydroxy-6-(hydroxymethyl)-4a-methyl-, (1S,4S,4aS,9aR)- [ACD/Index Name]
microdiplodiasol
(1S*,4S*,4aS*,9aR*)-1,4,8,9a-tetrahydroxy-6-(hydroxymethyl)-4a-methyl-1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one
  • Miscellaneous

    • Chemical Class:

      A member of the class of xanthones that is 1,2,3,4,4a,9a-hexahydro-9<element>H</element>-xanthen-9-one substituted by hydroxy groups at positions 1, 4, 8 and 9a, a hydroxymethyl group at position 6 an d a methyl group at position 4a. Isolated from the endophytic fungus <ital>Microdiplodia</ital> species, it exhibits antibacterial activity. ChEBI CHEBI:68283
      A member of the class of xanthones that is 1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one substituted by hydroxy groups at positions 1, 4, 8 and 9a, a hydroxymethyl group at position 6 an; d a methyl group at position 4a. Isolated from the endophytic fungus Microdiplodia species, it exhibits antibacterial activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68283
      A member of the class of xanthones that is 1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one substituted by hydroxy groups at positions 1, 4, 8 and 9a, a hydroxymethyl group at position 6 and a methyl group at position 4a. Isolated from the endophytic fungus Microdiplodia species, it exhibits antibacterial activity. ChEBI CHEBI:68283

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

Density: 1.6±0.1 g/cm3
Boiling Point: 611.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 231.6±25.0 °C
Index of Refraction: 1.718
Molar Refractivity: 74.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.54
ACD/KOC (pH 5.5): 102.14
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.57
ACD/KOC (pH 7.4): 35.25
Polar Surface Area: 127 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 102.0±3.0 dyne/cm
Molar Volume: 188.5±3.0 cm3

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