ChemSpider 2D Image | plakortone L | C26H40O3

plakortone L

  • Molecular FormulaC26H40O3
  • Average mass400.594 Da
  • Monoisotopic mass400.297760 Da
  • ChemSpider ID27022691

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aS,5S,6aS)-5,6a-Dimethyl-5-(12-phenyldodecyl)tetrahydrofuro[3,2-b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3aS,5S,6aS)-5,6a-Dimethyl-5-(12-phenyldodecyl)tetrahydrofuro[3,2-b]furan-2(3H)-one [ACD/IUPAC Name]
(3aS,5S,6aS)-5,6a-Diméthyl-5-(12-phényldodécyl)tétrahydrofuro[3,2-b]furan-2(3H)-one [French] [ACD/IUPAC Name]
1267676-20-9 [RN]
D-xylo-Heptonic acid, 3,6-anhydro-2,5,7-trideoxy-4-C-methyl-6-C-(12-phenyldodecyl)-, γ-lactone
plakortone L
  • Miscellaneous

    • Chemical Class:

      An organic heterobicyclic compound consisting of a <locant>gamma</locant>-lactone ring fused onto a substituted tetrahydrofuran ring. It is isolated from the Australian marine sponge <ital>Plakinastr ella clathrata</ital>. ChEBI CHEBI:68420
      An organic heterobicyclic compound consisting of a gamma-lactone ring fused onto a substituted tetrahydrofuran ring. It is isolated from the Australian marine sponge Plakinastr; ella clathrata. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68420
      An organic heterobicyclic compound consisting of a gamma-lactone ring fused onto a substituted tetrahydrofuran ring. It is isolated from the Australian marine sponge Plakinastrella clathrata. ChEBI CHEBI:68420

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

Density: 1.0±0.1 g/cm3
Boiling Point: 523.3±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 227.4±22.8 °C
Index of Refraction: 1.507
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 166974.64
ACD/KOC (pH 5.5): 190523.98
ACD/LogD (pH 7.4): 7.18
ACD/BCF (pH 7.4): 166974.64
ACD/KOC (pH 7.4): 190523.98
Polar Surface Area: 36 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 398.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement