Found 51 results

Search term: MF = 'C_{28}H_{50}O_{3}'
ChemSpider 2D Image | (3beta,5alpha,6beta)-Ergostane-3,5,6-triol | C28H50O3

(3β,5α,6β)-Ergostane-3,5,6-triol

  • Molecular FormulaC28H50O3
  • Average mass434.695 Da
  • Monoisotopic mass434.376007 Da
  • ChemSpider ID23326382

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

Featured data source
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(3β,5α,6β)-Ergostan-3,5,6-triol [German] [ACD/IUPAC Name]
(3β,5α,6β)-Ergostane-3,5,6-triol [ACD/IUPAC Name]
(3β,5α,6β)-Ergostane-3,5,6-triol [French] [ACD/IUPAC Name]
Ergostane-3,5,6-triol, (3β,5α,6β)- [ACD/Index Name]
(24S)-24-methylcholestane-3-β,5-α,6-β-triol
(24S)-ergostane-3b,5a,6b-triol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL485789/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 523.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.8±6.0 kJ/mol
Flash Point: 213.4±21.9 °C
Index of Refraction: 1.534
Molar Refractivity: 128.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.08
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21224.50
ACD/KOC (pH 5.5): 43524.75
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21224.50
ACD/KOC (pH 7.4): 43524.75
Polar Surface Area: 61 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 411.8±3.0 cm3

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