ChemSpider 2D Image | (3beta,8alpha,11alpha,23S)-23-Hydroxy-7,22-dioxo-9,11-epoxyergost-5-en-3-yl 2,3-dihydroxy-3-methylbutanoate | C33H50O8

(3β,8α,11α,23S)-23-Hydroxy-7,22-dioxo-9,11-epoxyergost-5-en-3-yl 2,3-dihydroxy-3-methylbutanoate

  • Molecular FormulaC33H50O8
  • Average mass574.745 Da
  • Monoisotopic mass574.350586 Da
  • ChemSpider ID9540103

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(3β,8α,11α,23S)-23-Hydroxy-7,22-dioxo-9,11-epoxyergost-5-en-3-yl 2,3-dihydroxy-3-methylbutanoate [ACD/IUPAC Name]
(3β,8α,11α,23S)-23-Hydroxy-7,22-dioxo-9,11-epoxyergost-5-en-3-yl-2,3-dihydroxy-3-methylbutanoat [German] [ACD/IUPAC Name]
2,3-Dihydroxy-3-méthylbutanoate de (3β,8α,11α,23S)-23-hydroxy-7,22-dioxo-9,11-époxyergost-5-én-3-yle [French] [ACD/IUPAC Name]
Butanoic acid, 2,3-dihydroxy-3-methyl-, (3β,8α,11α,23S)-9,11-epoxy-23-hydroxy-7,22-dioxoergost-5-en-3-yl ester [ACD/Index Name]
favolon B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 707.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.3±6.0 kJ/mol
Flash Point: 219.7±26.4 °C
Index of Refraction: 1.565
Molar Refractivity: 152.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.58
ACD/KOC (pH 5.5): 552.48
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.58
ACD/KOC (pH 7.4): 552.47
Polar Surface Area: 134 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 468.6±5.0 cm3

Click to predict properties on the Chemicalize site


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