ChemSpider 2D Image | multiplolide A | C10H14O5

multiplolide A

  • Molecular FormulaC10H14O5
  • Average mass214.215 Da
  • Monoisotopic mass214.084122 Da
  • ChemSpider ID24692814

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1S,4R,6R,7S,8E,10S)-6,7-Dihydroxy-4-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-2-on [German] [ACD/IUPAC Name]
(1S,4R,6R,7S,8E,10S)-6,7-Dihydroxy-4-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-2-one [ACD/IUPAC Name]
(1S,4R,6R,7S,8E,10S)-6,7-Dihydroxy-4-méthyl-3,11-dioxabicyclo[8.1.0]undéc-8-én-2-one [French] [ACD/IUPAC Name]
356043-22-6 [RN]
multiplolide A
(1S,2E,4S,5R,7R,10S)-4,5-dihydroxy-7-methyl-8,11-dioxabicyclo[8.1.0]undec-2-en-9-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL466333/
  • Miscellaneous

    • Chemical Class:

      A 10-membered lactone obtained from 10-methyl-9,10-dihydro-2<element>H</element>-oxecin-2-one by the epoxidation of the double bond at position 3-4 and <stereo>cis</stereo>-dihydroxylation of the doub le bond at position 7-8. Multiplolide A was first isolated from the fungus <ital>Xylaria multiplex</ital> BCC 1111. It shows antifungal activity against <ital>Candida albicans</ital>. ChEBI CHEBI:66411
      A 10-membered lactone obtained from 10-methyl-9,10-dihydro-2H-oxecin-2-one by the epoxidation of the double bond at position 3-4 and cis-dihydroxylation of the double bond at position 7-8. Multiplolid e A was first isolated from the fungus Xylaria multiplex BCC 1111. It shows antifungal activity against Candida albicans. ChEBI CHEBI:66411

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

Density: 1.3±0.1 g/cm3
Boiling Point: 400.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.3±6.0 kJ/mol
Flash Point: 160.8±22.2 °C
Index of Refraction: 1.534
Molar Refractivity: 50.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.44
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.13
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.13
Polar Surface Area: 79 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 162.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement