ChemSpider 2D Image | (2beta,3beta,5beta,10xi,22R)-2,3,20,22,25-Pentahydroxycholesta-8,14-dien-6-one | C27H42O6

(2β,3β,5β,10ξ,22R)-2,3,20,22,25-Pentahydroxycholesta-8,14-dien-6-one

  • Molecular FormulaC27H42O6
  • Average mass462.619 Da
  • Monoisotopic mass462.298126 Da
  • ChemSpider ID58816824

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2β,3β,5β,10ξ,22R)-2,3,20,22,25-Pentahydroxycholesta-8,14-dien-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,10ξ,22R)-2,3,20,22,25-Pentahydroxycholesta-8,14-dien-6-one [ACD/IUPAC Name]
(2β,3β,5β,10ξ,22R)-2,3,20,22,25-Pentahydroxycholesta-8,14-dién-6-one [French] [ACD/IUPAC Name]
Cholesta-8,14-dien-6-one, 2,3,20,22,25-pentahydroxy-, (2β,3β,5β,10ξ,22R)- [ACD/Index Name]
22612-27-7 [RN]
CHOLESTA-8,14-DIEN-6-ONE,2,3,20,22,25-PENTAHYDROXY-,(23522R)-
Podecdysone B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±6.0 kJ/mol
Flash Point: 377.5±28.0 °C
Index of Refraction: 1.595
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.85
ACD/KOC (pH 5.5): 251.57
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.85
ACD/KOC (pH 7.4): 251.57
Polar Surface Area: 118 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 370.0±5.0 cm3

Click to predict properties on the Chemicalize site


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