ChemSpider 2D Image | (24R)-11alpha,20,24-trihydroxyecdysone | C27H44O9

(24R)-11α,20,24-trihydroxyecdysone

  • Molecular FormulaC27H44O9
  • Average mass512.633 Da
  • Monoisotopic mass512.298523 Da
  • ChemSpider ID21864855

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(24R)-11α,20,24-trihydroxyecdysone
(2β,3β,5β,11α,22R,24R)-2,3,11,14,20,22,24,25-Octahydroxycholest-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,11α,22R,24R)-2,3,11,14,20,22,24,25-Octahydroxycholest-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,11α,22R,24R)-2,3,11,14,20,22,24,25-Octahydroxycholest-7-én-6-one [French] [ACD/IUPAC Name]
(22R,24R)-2β,3β,11α,14,20,22,24,25-octahydroxy-5β-cholest-7-en-6-one
(2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,5,6-tetrahydroxy-6-methylheptan-2-yl]-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one (non-preferred name)
8602077 [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: 782.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.8±6.0 kJ/mol
Flash Point: 441.0±29.4 °C
Index of Refraction: 1.623
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.61
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.83
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.83
Polar Surface Area: 179 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 73.0±5.0 dyne/cm
Molar Volume: 370.9±5.0 cm3

Click to predict properties on the Chemicalize site


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