ChemSpider 2D Image | (5S)-5-Hydroxy-4-[(2S)-5-{2-[(1aR,5R,6R,8aR)-1a,5,6-trimethyldecahydrocyclopropa[d]naphthalen-5-yl]ethyl}-3,6-dihydro-2H-pyran-2-yl]-2(5H)-furanone | C25H36O4

(5S)-5-Hydroxy-4-[(2S)-5-{2-[(1aR,5R,6R,8aR)-1a,5,6-trimethyldecahydrocyclopropa[d]naphthalen-5-yl]ethyl}-3,6-dihydro-2H-pyran-2-yl]-2(5H)-furanone

  • Molecular FormulaC25H36O4
  • Average mass400.551 Da
  • Monoisotopic mass400.261353 Da
  • ChemSpider ID29215826

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(5S)-5-Hydroxy-4-[(2S)-5-{2-[(1aR,5R,6R,8aR)-1a,5,6-triméthyldécahydrocyclopropa[d]naphtalén-5-yl]éthyl}-3,6-dihydro-2H-pyran-2-yl]-2(5H)-furanone [French] [ACD/IUPAC Name]
(5S)-5-Hydroxy-4-[(2S)-5-{2-[(1aR,5R,6R,8aR)-1a,5,6-trimethyldecahydrocyclopropa[d]naphthalen-5-yl]ethyl}-3,6-dihydro-2H-pyran-2-yl]-2(5H)-furanone [ACD/IUPAC Name]
(5S)-5-Hydroxy-4-[(2S)-5-{2-[(1aR,5R,6R,8aR)-1a,5,6-trimethyldecahydrocyclopropa[d]naphthalin-5-yl]ethyl}-3,6-dihydro-2H-pyran-2-yl]-2(5H)-furanon [German] [ACD/IUPAC Name]
2(5H)-Furanone, 4-[(2S)-5-[2-[(1aR,5R,6R,8aR)-decahydro-1a,5,6-trimethylcyclopropa[d]naphthalen-5-yl]ethyl]-3,6-dihydro-2H-pyran-2-yl]-5-hydroxy-, (5S)- [ACD/Index Name]
cacospongionolide acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.7±6.0 kJ/mol
Flash Point: 192.9±23.6 °C
Index of Refraction: 1.571
Molar Refractivity: 112.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5376.88
ACD/KOC (pH 5.5): 16289.18
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5353.40
ACD/KOC (pH 7.4): 16218.03
Polar Surface Area: 56 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 341.0±5.0 cm3

Click to predict properties on the Chemicalize site


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