Found 16 results

Search term: MF = 'C_{27}H_{42}F_{2}O_{3}'
ChemSpider 2D Image | (1R,3R,7E,17alpha)-17-[(2S)-5,5-Difluoro-6-hydroxy-6-methyl-2-heptanyl]-2-methylene-9,10-secoestra-5,7-diene-1,3-diol | C27H42F2O3

(1R,3R,7E,17α)-17-[(2S)-5,5-Difluoro-6-hydroxy-6-methyl-2-heptanyl]-2-methylene-9,10-secoestra-5,7-diene-1,3-diol

  • Molecular FormulaC27H42F2O3
  • Average mass452.617 Da
  • Monoisotopic mass452.310211 Da
  • ChemSpider ID58919238

  • 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

(1R,3R,7E,17α)-17-[(2S)-5,5-Difluor-6-hydroxy-6-methyl-2-heptanyl]-2-methylen-9,10-secoestra-5,7-dien-1,3-diol [German] [ACD/IUPAC Name]
(1R,3R,7E,17α)-17-[(2S)-5,5-Difluoro-6-hydroxy-6-methyl-2-heptanyl]-2-methylene-9,10-secoestra-5,7-diene-1,3-diol [ACD/IUPAC Name]
(1R,3R,7E,17α)-17-[(2S)-5,5-Difluoro-6-hydroxy-6-méthyl-2-heptanyl]-2-méthylène-9,10-sécoestra-5,7-diène-1,3-diol [French] [ACD/IUPAC Name]
1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1S)-4,4-difluoro-5-hydroxy-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-2-methylene-, (1R,3R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 589.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.0±6.0 kJ/mol
Flash Point: 310.3±30.1 °C
Index of Refraction: 1.532
Molar Refractivity: 124.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9781.96
ACD/KOC (pH 5.5): 24999.79
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9781.96
ACD/KOC (pH 7.4): 24999.79
Polar Surface Area: 61 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 402.1±5.0 cm3

Click to predict properties on the Chemicalize site


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