ChemSpider 2D Image | (4beta,5beta,6beta,8xi,9xi,14xi,17xi)-3,4-Dihydroxy-1,26-dioxo-5,6:22,26-diepoxyergost-24-en-27-yl beta-D-glucopyranoside | C34H50O12

(4β,5β,6β,8ξ,9ξ,14ξ,17ξ)-3,4-Dihydroxy-1,26-dioxo-5,6:22,26-diepoxyergost-24-en-27-yl β-D-glucopyranoside

  • Molecular FormulaC34H50O12
  • Average mass650.754 Da
  • Monoisotopic mass650.330200 Da
  • ChemSpider ID8276295

  • defined stereocentres - 11 of 17 defined stereocentres

More details:

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

(4β,5β,6β,8ξ,9ξ,14ξ,17ξ)-3,4-Dihydroxy-1,26-dioxo-5,6:22,26-diepoxyergost-24-en-27-yl β-D-glucopyranoside [ACD/IUPAC Name]
(4β,5β,6β,8ξ,9ξ,14ξ,17ξ)-3,4-Dihydroxy-1,26-dioxo-5,6:22,26-diepoxyergost-24-en-27-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Ergost-24-ene-1,26-dione, 5,6:22,26-diepoxy-27-(β-D-glucopyranosyloxy)-3,4-dihydroxy-, (4β,5β,6β,8ξ,9ξ,14ξ,17ξ)- [ACD/Index Name]
β-D-Glucopyranoside de (4β,5β,6β,8ξ,9ξ,14ξ,17ξ)-3,4-dihydroxy-1,26-dioxo-5,6:22,26-diépoxyergost-24-én-27-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: 849.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.4±6.0 kJ/mol
Flash Point: 267.3±27.8 °C
Index of Refraction: 1.624
Molar Refractivity: 160.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 46.99
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 46.99
Polar Surface Area: 196 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 455.6±5.0 cm3

Click to predict properties on the Chemicalize site


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