ChemSpider 2D Image | 6alpha-hydroxy-6-deoxocastasterone | C28H50O5

6α-hydroxy-6-deoxocastasterone

  • Molecular FormulaC28H50O5
  • Average mass466.694 Da
  • Monoisotopic mass466.365814 Da
  • ChemSpider ID21864868
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(2α,3α,5α,6α,22R,23R,24S)-Ergostan-2,3,6,22,23-pentol [German] [ACD/IUPAC Name]
(2α,3α,5α,6α,22R,23R,24S)-Ergostane-2,3,6,22,23-pentol [ACD/IUPAC Name]
(2α,3α,5α,6α,22R,23R,24S)-Ergostane-2,3,6,22,23-pentol [French] [ACD/IUPAC Name]
6α-hydroxy-6-deoxocastasterone
Ergostane-2,3,6,22,23-pentol, (2α,3α,5α,6α,22R,23R,24S)- [ACD/Index Name]
(22R,23R)-5α-campestane-2α,3α,6α,22,23-pentol
(22R,23R,24S)-5α-ergostane-2α,3α,6α,22,23-pentol
6&α
6&α;-hydroxy-6-deoxocastasterone
6&α;-hydroxy-castasterone
More...
  • Miscellaneous
    • Chemical Class:

      A brassinosteroid that is castasterone in which the oxo group at position 6 has been converted to a hydroxy group (the 6alpha-stereoisomer). ChEBI CHEBI:20760

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

Density: 1.1±0.1 g/cm3
Boiling Point: 600.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.5±6.0 kJ/mol
Flash Point: 249.5±26.1 °C
Index of Refraction: 1.548
Molar Refractivity: 131.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 156.55
ACD/KOC (pH 5.5): 1295.79
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 156.55
ACD/KOC (pH 7.4): 1295.79
Polar Surface Area: 101 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 412.8±3.0 cm3

Click to predict properties on the Chemicalize site






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