Found 16 results

Search term: MF = 'C_{27}H_{42}F_{2}O_{3}'
ChemSpider 2D Image | (3R,5Z,7E,14xi)-23,23-Difluoro-9,10-secocholesta-5,7,10-triene-1,3,25-triol | C27H42F2O3

(3R,5Z,7E,14ξ)-23,23-Difluoro-9,10-secocholesta-5,7,10-triene-1,3,25-triol

  • Molecular FormulaC27H42F2O3
  • Average mass452.617 Da
  • Monoisotopic mass452.310211 Da
  • ChemSpider ID109120736

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(3R,5Z,7E,14ξ)-23,23-Difluor-9,10-secocholesta-5,7,10-trien-1,3,25-triol [German] [ACD/IUPAC Name]
(3R,5Z,7E,14ξ)-23,23-Difluoro-9,10-secocholesta-5,7,10-triene-1,3,25-triol [ACD/IUPAC Name]
(3R,5Z,7E,14ξ)-23,23-Difluoro-9,10-sécocholesta-5,7,10-triène-1,3,25-triol [French] [ACD/IUPAC Name]
1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,7aR)-1-[(1R)-3,3-difluoro-5-hydroxy-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,5Z)- [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: 583.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.2±6.0 kJ/mol
Flash Point: 306.9±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: 5.30
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6217.73
ACD/KOC (pH 5.5): 18074.80
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6217.73
ACD/KOC (pH 7.4): 18074.80
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


Advertisement