ChemSpider 2D Image | 26-hydroxycastasterone | C28H48O6

26-hydroxycastasterone

  • Molecular FormulaC28H48O6
  • Average mass480.677 Da
  • Monoisotopic mass480.345093 Da
  • ChemSpider ID58827458

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(2α,3α,5α,22R,23R,24S)-2,3,22,23,26-Pentahydroxyergostan-6-on [German] [ACD/IUPAC Name]
(2α,3α,5α,22R,23R,24S)-2,3,22,23,26-Pentahydroxyergostan-6-one [ACD/IUPAC Name]
(2α,3α,5α,22R,23R,24S)-2,3,22,23,26-Pentahydroxyergostan-6-one [French] [ACD/IUPAC Name]
26-hydroxycastasterone
Ergostan-6-one, 2,3,22,23,26-pentahydroxy-, (2α,3α,5α,22R,23R,24S)- [ACD/Index Name]
(22R,23R)-2α,3α,22,23,26-pentahydroxy-5α-campestan-6-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 660.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±6.0 kJ/mol
Flash Point: 366.9±28.0 °C
Index of Refraction: 1.553
Molar Refractivity: 131.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.80
ACD/KOC (pH 5.5): 273.35
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.80
ACD/KOC (pH 7.4): 273.34
Polar Surface Area: 118 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 409.8±3.0 cm3

Click to predict properties on the Chemicalize site


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