ChemSpider 2D Image | APLYSINOPLIDE A | C25H36O4

APLYSINOPLIDE A

  • Molecular FormulaC25H36O4
  • Average mass400.551 Da
  • Monoisotopic mass400.261353 Da
  • ChemSpider ID24703517

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

(-)-5-Hydroxy-4-[(1E,3E,7E)-4-(hydroxymethyl)-8-methyl-10-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,7-decatrien-1-yl]-2(5H)-furanone
1038397-16-8 [RN]
2(5H)-Furanone, 5-hydroxy-4-[(1E,3E,7E)-4-(hydroxymethyl)-8-methyl-10-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,7-decatrien-1-yl]- [ACD/Index Name]
5-Hydroxy-4-[(1E,3E,7E)-4-(hydroxymethyl)-8-methyl-10-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,7-decatrien-1-yl]-2(5H)-furanon [German] [ACD/IUPAC Name]
5-Hydroxy-4-[(1E,3E,7E)-4-(hydroxymethyl)-8-methyl-10-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,7-decatrien-1-yl]-2(5H)-furanone [ACD/IUPAC Name]
5-Hydroxy-4-[(1E,3E,7E)-4-(hydroxyméthyl)-8-méthyl-10-(2,6,6-triméthyl-1-cyclohexén-1-yl)-1,3,7-décatrién-1-yl]-2(5H)-furanone [French] [ACD/IUPAC Name]
APLYSINOPLIDE A
5-hydroxy-4-[(1E,3E,7E)-4-(hydroxymethyl)-8-methyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-1,3,7-trien-1-yl]furan-2(5H)-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL487104/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 602.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 200.5±25.0 °C
Index of Refraction: 1.571
Molar Refractivity: 119.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 5012.84
ACD/KOC (pH 5.5): 15491.88
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4986.41
ACD/KOC (pH 7.4): 15410.23
Polar Surface Area: 67 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 363.5±3.0 cm3

Click to predict properties on the Chemicalize site


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