ChemSpider 2D Image | (2beta,3beta,5beta,16beta,22R,24xi)-2,3,14,16,20,22-Hexahydroxyergost-7-en-6-one | C28H46O7

(2β,3β,5β,16β,22R,24ξ)-2,3,14,16,20,22-Hexahydroxyergost-7-en-6-one

  • Molecular FormulaC28H46O7
  • Average mass494.661 Da
  • Monoisotopic mass494.324341 Da
  • ChemSpider ID28285240
  • defined stereocentres - 11 of 12 defined stereocentres


More details:



Featured data source



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

(2β,3β,5β,16β,22R,24ξ)-2,3,14,16,20,22-Hexahydroxyergost-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,16β,22R,24ξ)-2,3,14,16,20,22-Hexahydroxyergost-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,16β,22R,24ξ)-2,3,14,16,20,22-Hexahydroxyergost-7-én-6-one [French] [ACD/IUPAC Name]
Ergost-7-en-6-one, 2,3,14,16,20,22-hexahydroxy-, (2β,3β,5β,16β,22R,24ξ)- [ACD/Index Name]
Polyporoid C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 678.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 378.4±28.0 °C
Index of Refraction: 1.589
Molar Refractivity: 132.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.00
ACD/KOC (pH 5.5): 93.85
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.00
ACD/KOC (pH 7.4): 93.85
Polar Surface Area: 138 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 392.7±5.0 cm3

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