ChemSpider 2D Image | (6E)-17-(6-Hydroxy-6-methyl-2-heptanyl)-9,10-secoestra-4,6,8-triene-1,3-diol | C26H42O3

(6E)-17-(6-Hydroxy-6-methyl-2-heptanyl)-9,10-secoestra-4,6,8-triene-1,3-diol

  • Molecular FormulaC26H42O3
  • Average mass402.610 Da
  • Monoisotopic mass402.313385 Da
  • ChemSpider ID57501569

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-17-(6-Hydroxy-6-methyl-2-heptanyl)-9,10-secoestra-4,6,8-trien-1,3-diol [German] [ACD/IUPAC Name]
(6E)-17-(6-Hydroxy-6-methyl-2-heptanyl)-9,10-secoestra-4,6,8-triene-1,3-diol [ACD/IUPAC Name]
(6E)-17-(6-Hydroxy-6-méthyl-2-heptanyl)-9,10-sécoestra-4,6,8-triène-1,3-diol [French] [ACD/IUPAC Name]
4-Cyclohexene-1,3-diol, 5-[(E)-2-[2,3,3a,6,7,7a-hexahydro-1-(5-hydroxy-1,5-dimethylhexyl)-7a-methyl-1H-inden-4-yl]ethenyl]- [ACD/Index Name]
1,25-DIHYDROXY-19-NORPREVITAMIN D3

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

Density: 1.1±0.1 g/cm3
Boiling Point: 556.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.3±6.0 kJ/mol
Flash Point: 237.5±24.7 °C
Index of Refraction: 1.615
Molar Refractivity: 123.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2450.33
ACD/KOC (pH 5.5): 9281.17
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2450.33
ACD/KOC (pH 7.4): 9281.17
Polar Surface Area: 61 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 354.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement