ChemSpider 2D Image | (25S)-11alpha,20,26-trihydroxyecdysone | C27H44O9

(25S)-11α,20,26-trihydroxyecdysone

  • Molecular FormulaC27H44O9
  • Average mass512.633 Da
  • Monoisotopic mass512.298523 Da
  • ChemSpider ID21865425

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(25S)-11α,20,26-trihydroxyecdysone
(2β,3β,5β,11α,22R,25S)-2,3,11,14,20,22,25,26-Octahydroxycholest-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,11α,22R,25S)-2,3,11,14,20,22,25,26-Octahydroxycholest-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,11α,22R,25S)-2,3,11,14,20,22,25,26-Octahydroxycholest-7-én-6-one [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 2,3,11,14,20,22,25,26-octahydroxy-, (2β,3β,5β,11α,22R,25S)- [ACD/Index Name]
(22R,25S)-2β,3β,11α,14,20,22,25,26-octahydroxy-5β-cholest-7-en-6-one
8603187 [Beilstein]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 787.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.6±6.0 kJ/mol
Flash Point: 444.1±29.4 °C
Index of Refraction: 1.625
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.14
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.93
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.93
Polar Surface Area: 179 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 370.3±5.0 cm3

Click to predict properties on the Chemicalize site


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