ChemSpider 2D Image | (4aR,4bS,6aS,6bS,8R,9aS,10aS,10bR)-8-(4-Fluorophenyl)-6b-glycoloyl-6a,8-dimethyl-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-one | C28H33FO5

(4aR,4bS,6aS,6bS,8R,9aS,10aS,10bR)-8-(4-Fluorophenyl)-6b-glycoloyl-6a,8-dimethyl-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-one

  • Molecular FormulaC28H33FO5
  • Average mass468.557 Da
  • Monoisotopic mass468.231201 Da
  • ChemSpider ID95601835

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4aR,4bS,6aS,6bS,8R,9aS,10aS,10bR)-8-(4-Fluorophényl)-6b-(2-hydroxyacétyl)-6a,8-diméthyl-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-one [French] [ACD/IUPAC Name]
(4aR,4bS,6aS,6bS,8R,9aS,10aS,10bR)-8-(4-Fluorophenyl)-6b-glycoloyl-6a,8-dimethyl-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-one [ACD/IUPAC Name]
(4aR,4bS,6aS,6bS,8R,9aS,10aS,10bR)-8-(4-Fluorphenyl)-6b-glycoloyl-6a,8-dimethyl-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]
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 8-(4-fluorophenyl)-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-6b-(2-hydroxyacetyl)-6a,8-dimethyl-, (4aR,4bS,6aS,6bS,8R,9aS,10aS,10bR)- [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: 614.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 325.3±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 123.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2163.95
ACD/KOC (pH 5.5): 8491.14
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2163.94
ACD/KOC (pH 7.4): 8491.11
Polar Surface Area: 73 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 359.8±5.0 cm3

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