ChemSpider 2D Image | (2beta,3beta,5beta,9xi,22R,24R)-2,3,5,14,20,22-Hexahydroxy-25-methylergost-7-en-6-one | C29H48O7

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

  • Molecular FormulaC29H48O7
  • Average mass508.687 Da
  • Monoisotopic mass508.339996 Da
  • ChemSpider ID9527646
  • defined stereocentres - 10 of 11 defined stereocentres


More details:






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

(2β,3β,5β,9ξ,22R,24R)-2,3,5,14,20,22-Hexahydroxy-25-methylergost-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,9ξ,22R,24R)-2,3,5,14,20,22-Hexahydroxy-25-methylergost-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,9ξ,22R,24R)-2,3,5,14,20,22-Hexahydroxy-25-méthylergost-7-én-6-one [French] [ACD/IUPAC Name]
Ergost-7-en-6-one, 2,3,5,14,20,22-hexahydroxy-25-methyl-, (2β,3β,5β,9ξ,22R,24R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±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: 1.587
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.32
ACD/KOC (pH 5.5): 428.11
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.32
ACD/KOC (pH 7.4): 428.10
Polar Surface Area: 138 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 407.8±5.0 cm3

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