ChemSpider 2D Image | (4R,6S)-6-(2-{(1S,2S,6R,8S,8aR)-8-[(4-Fluorobenzyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}ethyl)-4-hydroxytetrahydro-2H-pyran-2-one | C26H33FO4

(4R,6S)-6-(2-{(1S,2S,6R,8S,8aR)-8-[(4-Fluorobenzyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}ethyl)-4-hydroxytetrahydro-2H-pyran-2-one

  • Molecular FormulaC26H33FO4
  • Average mass428.536 Da
  • Monoisotopic mass428.236298 Da
  • ChemSpider ID62406005

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4R,6S)-6-(2-{(1S,2S,6R,8S,8aR)-8-[(4-Fluorbenzyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalinyl}ethyl)-4-hydroxytetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(4R,6S)-6-(2-{(1S,2S,6R,8S,8aR)-8-[(4-Fluorobenzyl)oxy]-2,6-diméthyl-1,2,6,7,8,8a-hexahydro-1-naphtalényl}éthyl)-4-hydroxytétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
(4R,6S)-6-(2-{(1S,2S,6R,8S,8aR)-8-[(4-Fluorobenzyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}ethyl)-4-hydroxytetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[2-[(1S,2S,6R,8S,8aR)-8-[(4-fluorophenyl)methoxy]-1,2,6,7,8,8a-hexahydro-2,6-dimethyl-1-naphthalenyl]ethyl]tetrahydro-4-hydroxy-, (4R,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: 594.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.2±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 117.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1647.04
ACD/KOC (pH 5.5): 6984.17
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1647.04
ACD/KOC (pH 7.4): 6984.16
Polar Surface Area: 56 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 361.7±5.0 cm3

Click to predict properties on the Chemicalize site


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