ChemSpider 2D Image | (1R,3R,7E)-17-[(2R,4Z)-7,7,7-Trifluoro-6-hydroxy-6-(trifluoromethyl)-4-hepten-2-yl]-9,10-secoestra-5,7,16-triene-1,3-diol | C26H34F6O3

(1R,3R,7E)-17-[(2R,4Z)-7,7,7-Trifluoro-6-hydroxy-6-(trifluoromethyl)-4-hepten-2-yl]-9,10-secoestra-5,7,16-triene-1,3-diol

  • Molecular FormulaC26H34F6O3
  • Average mass508.537 Da
  • Monoisotopic mass508.241211 Da
  • ChemSpider ID8046595

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,3R,7E)-17-[(2R,4Z)-7,7,7-Trifluor-6-hydroxy-6-(trifluormethyl)-4-hepten-2-yl]-9,10-secoestra-5,7,16-trien-1,3-diol [German] [ACD/IUPAC Name]
(1R,3R,7E)-17-[(2R,4Z)-7,7,7-Trifluoro-6-hydroxy-6-(trifluoromethyl)-4-hepten-2-yl]-9,10-secoestra-5,7,16-triene-1,3-diol [ACD/IUPAC Name]
(1R,3R,7E)-17-[(2R,4Z)-7,7,7-Trifluoro-6-hydroxy-6-(trifluorométhyl)-4-heptén-2-yl]-9,10-sécoestra-5,7,16-triène-1,3-diol [French] [ACD/IUPAC Name]
1,3-Cyclohexanediol, 5-[(2E)-2-[(3aS,7aS)-3,3a,5,6,7,7a-hexahydro-7a-methyl-1-[(1R,3Z)-6,6,6-trifluoro-5-hydroxy-1-methyl-5-(trifluoromethyl)-3-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1R,3R)- [ACD/Index Name]
(OH)2-ene-yne-(F)6-D3
1,25(OH)2-16-ene-23-yne-26,27-(F)6-19-nor-D3
1,25(OH)2-16-ene-23-yne-26,27-hexafluoro-19-nor-D3
195527-19-6 [RN]
1α,25(OH)2-16-ene-23-yne-26,27-hexafluoro-19-nor-D3
C408047
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 568.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 297.6±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 124.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 6.63
ACD/BCF (pH 5.5): 64568.61
ACD/KOC (pH 5.5): 96505.78
ACD/LogD (pH 7.4): 6.62
ACD/BCF (pH 7.4): 62933.38
ACD/KOC (pH 7.4): 94061.73
Polar Surface Area: 61 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 378.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement