ChemSpider 2D Image | teasterone | C28H48O4

teasterone

  • Molecular FormulaC28H48O4
  • Average mass448.678 Da
  • Monoisotopic mass448.355255 Da
  • ChemSpider ID21864885

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,5α,22R,23R,24S)-3,22,23-Trihydroxyergostan-6-on [German] [ACD/IUPAC Name]
(3β,5α,22R,23R,24S)-3,22,23-Trihydroxyergostan-6-one [ACD/IUPAC Name]
(3β,5α,22R,23R,24S)-3,22,23-Trihydroxyergostan-6-one [French] [ACD/IUPAC Name]
Ergostan-6-one, 3,22,23-trihydroxy-, (3β,5α,22R,23R,24S)- [ACD/Index Name]
teasterone
(22R,23R)-3β,22,23-trihydroxy-5α-campestan-6-one
(22R,23R,24S)-3β,22,23-trihydroxy-5α-ergostan-6-one
5305497 [Beilstein]
6-oxo-5α-campestan-3β,22R,23R-triol
6-oxo-campestan-3β,22R,23R-triol
More...

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

CHEBI:26863 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 581.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 319.7±21.1 °C
Index of Refraction: 1.529
Molar Refractivity: 128.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 599.72
ACD/KOC (pH 5.5): 3388.90
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 599.72
ACD/KOC (pH 7.4): 3388.90
Polar Surface Area: 78 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 415.3±3.0 cm3

Click to predict properties on the Chemicalize site


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