ChemSpider 2D Image | (4S,6S)-4-Hydroxy-6-{2-[(1R,2R,6S,8R,8aS)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]ethyl}tetrahydro-2H-pyran-2-one | C19H28O4

(4S,6S)-4-Hydroxy-6-{2-[(1R,2R,6S,8R,8aS)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]ethyl}tetrahydro-2H-pyran-2-one

  • Molecular FormulaC19H28O4
  • Average mass320.423 Da
  • Monoisotopic mass320.198761 Da
  • ChemSpider ID78272500

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4S,6S)-4-Hydroxy-6-{2-[(1R,2R,6S,8R,8aS)-8-hydroxy-2,6-diméthyl-1,2,6,7,8,8a-hexahydro-1-naphtalényl]éthyl}tétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
(4S,6S)-4-Hydroxy-6-{2-[(1R,2R,6S,8R,8aS)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]ethyl}tetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(4S,6S)-4-Hydroxy-6-{2-[(1R,2R,6S,8R,8aS)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalinyl]ethyl}tetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[2-[(1R,2R,6S,8R,8aS)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthalenyl]ethyl]tetrahydro-4-hydroxy-, (4S,6S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 535.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.4±6.0 kJ/mol
Flash Point: 191.2±23.6 °C
Index of Refraction: 1.558
Molar Refractivity: 88.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.72
ACD/KOC (pH 5.5): 422.60
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.72
ACD/KOC (pH 7.4): 422.60
Polar Surface Area: 67 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 273.6±5.0 cm3

Click to predict properties on the Chemicalize site


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