ChemSpider 2D Image | (4aR,4bR,5S,6aS,6bS,9aR,10aR,10bS)-6b-(Chloroacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-on e | C24H32ClFO5

(4aR,4bR,5S,6aS,6bS,9aR,10aR,10bS)-6b-(Chloroacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-on e

  • Molecular FormulaC24H32ClFO5
  • Average mass454.959 Da
  • Monoisotopic mass454.192230 Da
  • ChemSpider ID114391588

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4aR,4bR,5S,6aS,6bS,9aR,10aR,10bS)-6b-(2-Chloroacétyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tétraméthyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tétradécahydro-2H-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-2-o ne [French] [ACD/IUPAC Name]
(4aR,4bR,5S,6aS,6bS,9aR,10aR,10bS)-6b-(Chloracetyl)-4b-fluor-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-on [German] [ACD/IUPAC Name]
(4aR,4bR,5S,6aS,6bS,9aR,10aR,10bS)-6b-(Chloroacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-on e [ACD/IUPAC Name]
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 6b-(2-chloroacetyl)-4b-fluoro-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-5-hydroxy-4a,6a,8,8-tetramethyl-, (4aR,4bR,5S,6aS,6bS,9aR,10aR, 10bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 564.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.4±6.0 kJ/mol
Flash Point: 295.1±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 206.42
ACD/KOC (pH 5.5): 1579.48
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 206.42
ACD/KOC (pH 7.4): 1579.47
Polar Surface Area: 73 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 345.5±5.0 cm3

Click to predict properties on the Chemicalize site


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