ChemSpider 2D Image | Isotachysterol | C28H44O

Isotachysterol

  • Molecular FormulaC28H44O
  • Average mass396.648 Da
  • Monoisotopic mass396.339203 Da
  • ChemSpider ID32821040

  • 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

(3R,6E,17α,20S,22E,24S)-9,10-Secoergosta-5(10),6,8(14),22-tetraen-3-ol [German] [ACD/IUPAC Name]
(3R,6E,17α,20S,22E,24S)-9,10-Secoergosta-5(10),6,8(14),22-tetraen-3-ol [ACD/IUPAC Name]
(3R,6E,17α,20S,22E,24S)-9,10-Sécoergosta-5(10),6,8(14),22-tétraén-3-ol [French] [ACD/IUPAC Name]
3-Cyclohexen-1-ol, 3-[(E)-2-[(1S,7aR)-2,3,5,6,7,7a-hexahydro-7a-methyl-1-[(1S,2E,4S)-1,4,5-trimethyl-2-hexen-1-yl]-1H-inden-4-yl]ethenyl]-4-methyl-, (1R)- [ACD/Index Name]
469-06-7 [RN]
Isotachysterol
Iso Tachysterol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 508.6±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.7±6.0 kJ/mol
Flash Point: 219.5±16.5 °C
Index of Refraction: 1.534
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.57
ACD/LogD (pH 5.5): 8.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1456957.63
ACD/LogD (pH 7.4): 8.80
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1456957.63
Polar Surface Area: 20 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 37.7±5.0 dyne/cm
Molar Volume: 404.3±5.0 cm3

Click to predict properties on the Chemicalize site


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