ChemSpider 2D Image | 22-deoxy-20,21-dihydroxyecdysone | C27H44O7

22-deoxy-20,21-dihydroxyecdysone

  • Molecular FormulaC27H44O7
  • Average mass480.634 Da
  • Monoisotopic mass480.308716 Da
  • ChemSpider ID21864861

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2β,3β,5β)-2,3,14,20,21,25-Hexahydroxycholest-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β)-2,3,14,20,21,25-Hexahydroxycholest-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β)-2,3,14,20,21,25-Hexahydroxycholest-7-én-6-one [French] [ACD/IUPAC Name]
22-deoxy-20,21-dihydroxyecdysone
Cholest-7-en-6-one, 2,3,14,20,21,25-hexahydroxy-, (2β,3β,5β)- [ACD/Index Name]
2β,3β,14,20,21,25-hexahydroxy-5β-cholest-7-en-6-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.1±6.0 kJ/mol
Flash Point: 399.1±29.4 °C
Index of Refraction: 1.598
Molar Refractivity: 127.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.45
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 53.53
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.83
ACD/KOC (pH 7.4): 53.53
Polar Surface Area: 138 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 374.6±5.0 cm3

Click to predict properties on the Chemicalize site


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