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

(3β,17α,22R)-14,17,20-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-5,24-dien-3-yl β-D-glucopyranoside

  • Molecular FormulaC34H50O12
  • Average mass650.754 Da
  • Monoisotopic mass650.330200 Da
  • ChemSpider ID8683852

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,17α,22R)-14,17,20-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-5,24-dien-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,17α,22R)-14,17,20-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-5,24-dien-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Ergosta-5,24-diene-1,26-dione, 22,26-epoxy-3-(β-D-glucopyranosyloxy)-14,17,20-trihydroxy-, (3β,17α,22R)- [ACD/Index Name]
β-D-Glucopyranoside de (3β,17α,22R)-14,17,20-trihydroxy-1,26-dioxo-22,26-époxyergosta-5,24-dién-3-yle [French] [ACD/IUPAC Name]
(14R,17S,20S,22R)-14,17,20-trihydroxy-3β-(O-β-D-glucopyranosyl)-1-oxowitha-5,24-dienolide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL501881/

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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