ChemSpider 2D Image | (3aS,5aS,6S,7S,9aR,9bR)-6-{(E)-2-[5-(3-Fluorophenyl)-2-pyridinyl]vinyl}-6,9a-dimethyl-1-oxododecahydronaphtho[1,2-c]furan-7-yl acetate | C29H32FNO4

(3aS,5aS,6S,7S,9aR,9bR)-6-{(E)-2-[5-(3-Fluorophenyl)-2-pyridinyl]vinyl}-6,9a-dimethyl-1-oxododecahydronaphtho[1,2-c]furan-7-yl acetate

  • Molecular FormulaC29H32FNO4
  • Average mass477.567 Da
  • Monoisotopic mass477.231537 Da
  • ChemSpider ID76793682

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aS,5aS,6S,7S,9aR,9bR)-6-{(E)-2-[5-(3-Fluorophenyl)-2-pyridinyl]vinyl}-6,9a-dimethyl-1-oxododecahydronaphtho[1,2-c]furan-7-yl acetate [ACD/IUPAC Name]
(3aS,5aS,6S,7S,9aR,9bR)-6-{(E)-2-[5-(3-Fluorphenyl)-2-pyridinyl]vinyl}-6,9a-dimethyl-1-oxododecahydronaphtho[1,2-c]furan-7-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3aS,5aS,6S,7S,9aR,9bR)-6-{(E)-2-[5-(3-fluorophényl)-2-pyridinyl]vinyl}-6,9a-diméthyl-1-oxododécahydronaphto[1,2-c]furan-7-yle [French] [ACD/IUPAC Name]
Naphtho[1,2-c]furan-1(3H)-one, 7-(acetyloxy)-6-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]decahydro-6,9a-dimethyl-, (3aS,5aS,6S,7S,9aR,9bR)- [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: 615.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.7±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5247.52
ACD/KOC (pH 5.5): 15877.91
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5398.30
ACD/KOC (pH 7.4): 16334.15
Polar Surface Area: 65 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 385.7±5.0 cm3

Click to predict properties on the Chemicalize site


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