ChemSpider 2D Image | 3-{2-[(1R,4aS,5R,8aS)-6-Hydroxy-2,5-bis(hydroxymethyl)-5,8a-dimethyldecahydro-1-naphthalenyl]ethyl}-2(5H)-furanone | C20H32O5

3-{2-[(1R,4aS,5R,8aS)-6-Hydroxy-2,5-bis(hydroxymethyl)-5,8a-dimethyldecahydro-1-naphthalenyl]ethyl}-2(5H)-furanone

  • Molecular FormulaC20H32O5
  • Average mass352.465 Da
  • Monoisotopic mass352.224976 Da
  • ChemSpider ID95532460

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

2(5H)-Furanone, 3-[2-[(1R,4aS,5R,8aS)-decahydro-6-hydroxy-2,5-bis(hydroxymethyl)-5,8a-dimethyl-1-naphthalenyl]ethyl]- [ACD/Index Name]
3-{2-[(1R,4aS,5R,8aS)-6-Hydroxy-2,5-bis(hydroxyméthyl)-5,8a-diméthyldécahydro-1-naphtalényl]éthyl}-2(5H)-furanone [French] [ACD/IUPAC Name]
3-{2-[(1R,4aS,5R,8aS)-6-Hydroxy-2,5-bis(hydroxymethyl)-5,8a-dimethyldecahydro-1-naphthalenyl]ethyl}-2(5H)-furanone [ACD/IUPAC Name]
3-{2-[(1R,4aS,5R,8aS)-6-Hydroxy-2,5-bis(hydroxymethyl)-5,8a-dimethyldecahydro-1-naphthalinyl]ethyl}-2(5H)-furanon [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 552.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.7±6.0 kJ/mol
Flash Point: 192.4±15.3 °C
Index of Refraction: 1.528
Molar Refractivity: 94.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.97
ACD/KOC (pH 5.5): 229.82
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.97
ACD/KOC (pH 7.4): 229.82
Polar Surface Area: 87 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 306.9±3.0 cm3

Click to predict properties on the Chemicalize site


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