ChemSpider 2D Image | (2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxyergosta-7,24(28)-dien-6-one | C28H44O6

(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxyergosta-7,24(28)-dien-6-one

  • Molecular FormulaC28H44O6
  • Average mass476.645 Da
  • Monoisotopic mass476.313782 Da
  • ChemSpider ID23316673

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxyergosta-7,24(28)-dien-6-one
(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxyergosta-7,24(28)-dien-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxyergosta-7,24(28)-dien-6-one [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxyergosta-7,24(28)-dién-6-one [French] [ACD/IUPAC Name]
141360-89-6 [RN]
Ergosta-7,24(28)-dien-6-one, 2,3,14,20,22-pentahydroxy-, (2β,3β,5β,22R)- [ACD/Index Name]
(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methyl-5-methylideneheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
2β,3β,14α,20R,22R-pentahydroxy-5β-ergosta-7,24(28)-dien-6-one
Ergosta-7,24(28)-dien-6-one, 2,3,14,20,22-pentahydroxy-, (2β,3β,5β,22R)-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL260669/
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 665.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±6.0 kJ/mol
Flash Point: 370.3±28.0 °C
Index of Refraction: 1.585
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.80
ACD/KOC (pH 5.5): 404.64
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.80
ACD/KOC (pH 7.4): 404.64
Polar Surface Area: 118 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 389.4±5.0 cm3

Click to predict properties on the Chemicalize site


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