ChemSpider 2D Image | (5beta,9xi,17xi,22R,24S)-2,3,14,20,22,25,28-Heptahydroxy-5-methylergost-7-en-6-one | C29H48O8

(5β,9ξ,17ξ,22R,24S)-2,3,14,20,22,25,28-Heptahydroxy-5-methylergost-7-en-6-one

  • Molecular FormulaC29H48O8
  • Average mass524.687 Da
  • Monoisotopic mass524.334900 Da
  • ChemSpider ID4476841

  • defined stereocentres - 7 of 11 defined stereocentres

More details:

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

(5β,9ξ,17ξ,22R,24S)-2,3,14,20,22,25,28-Heptahydroxy-5-methylergost-7-en-6-on [German] [ACD/IUPAC Name]
(5β,9ξ,17ξ,22R,24S)-2,3,14,20,22,25,28-Heptahydroxy-5-methylergost-7-en-6-one [ACD/IUPAC Name]
(5β,9ξ,17ξ,22R,24S)-2,3,14,20,22,25,28-Heptahydroxy-5-méthylergost-7-én-6-one [French] [ACD/IUPAC Name]
Ergost-7-en-6-one, 2,3,14,20,22,25,28-heptahydroxy-5-methyl-, (5β,9ξ,17ξ,22R,24S)- [ACD/Index Name]
20-Hydroxy 24-hydroxymethyl ecdysone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 745.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.1±6.0 kJ/mol
Flash Point: 418.9±29.4 °C
Index of Refraction: 1.600
Molar Refractivity: 138.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.00
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.38
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.38
Polar Surface Area: 159 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 405.0±5.0 cm3

Click to predict properties on the Chemicalize site


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