ChemSpider 2D Image | topsentinol K | C30H52O3

topsentinol K

  • Molecular FormulaC30H52O3
  • Average mass460.732 Da
  • Monoisotopic mass460.391632 Da
  • ChemSpider ID25050561

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2β,3α,5α,6α,22Z,24ξ)-28-Methylstigmast-22-en-2,3,6-triol [German] [ACD/IUPAC Name]
(2β,3α,5α,6α,22Z,24ξ)-28-Methylstigmast-22-ene-2,3,6-triol [ACD/IUPAC Name]
(2β,3α,5α,6α,22Z,24ξ)-28-Méthylstigmast-22-ène-2,3,6-triol [French] [ACD/IUPAC Name]
Stigmast-22-ene-2,3,6-triol, 28-methyl-, (2β,3α,5α,6α,22Z,24ξ)- [ACD/Index Name]
topsentinol K

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

Density: 1.0±0.1 g/cm3
Boiling Point: 547.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.0±6.0 kJ/mol
Flash Point: 219.9±24.7 °C
Index of Refraction: 1.531
Molar Refractivity: 137.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.04
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 44169.41
ACD/KOC (pH 5.5): 73546.32
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 44169.41
ACD/KOC (pH 7.4): 73546.32
Polar Surface Area: 61 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 444.0±3.0 cm3

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