ChemSpider 2D Image | (8alpha,9xi,10alpha,13alpha,14beta,20R,22R)-14,17,20-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-5,24-dien-3-yl beta-L-glucopyranoside | C34H50O12

(8α,9ξ,10α,13α,14β,20R,22R)-14,17,20-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-5,24-dien-3-yl β-L-glucopyranoside

  • Molecular FormulaC34H50O12
  • Average mass650.754 Da
  • Monoisotopic mass650.330200 Da
  • ChemSpider ID113590144

  • defined stereocentres - 12 of 14 defined stereocentres

More details:

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

(8α,9ξ,10α,13α,14β,20R,22R)-14,17,20-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-5,24-dien-3-yl β-L-glucopyranoside [ACD/IUPAC Name]
(8α,9ξ,10α,13α,14β,20R,22R)-14,17,20-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-5,24-dien-3-yl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
Ergosta-5,24-diene-1,26-dione, 22,26-epoxy-3-(β-L-glucopyranosyloxy)-14,17,20-trihydroxy-, (8α,9ξ,10α,13α,14β,20R,22R)- [ACD/Index Name]
β-L-Glucopyranoside de (8α,9ξ,10α,13α,14β,20R,22R)-14,17,20-trihydroxy-1,26-dioxo-22,26-époxyergosta-5,24-dién-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 857.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.7±6.0 kJ/mol
Flash Point: 268.9±27.8 °C
Index of Refraction: 1.630
Molar Refractivity: 162.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.29
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.29
Polar Surface Area: 203 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 456.6±5.0 cm3

Click to predict properties on the Chemicalize site


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