ChemSpider 2D Image | (1alpha,3beta,22R)-1,20-Dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-3-yl beta-D-glucopyranoside | C34H52O10

(1α,3β,22R)-1,20-Dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-3-yl β-D-glucopyranoside

  • Molecular FormulaC34H52O10
  • Average mass620.771 Da
  • Monoisotopic mass620.356018 Da
  • ChemSpider ID8275945

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1α,3β,22R)-1,20-Dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1α,3β,22R)-1,20-Dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Ergosta-5,24-dien-26-one, 22,26-epoxy-3-(β-D-glucopyranosyloxy)-1,20-dihydroxy-, (1α,3β,22R)- [ACD/Index Name]
β-D-Glucopyranoside de (1α,3β,22R)-1,20-dihydroxy-26-oxo-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: 1.3±0.1 g/cm3
Boiling Point: 802.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.9±6.0 kJ/mol
Flash Point: 250.8±27.8 °C
Index of Refraction: 1.610
Molar Refractivity: 160.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.54
ACD/KOC (pH 5.5): 363.77
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.54
ACD/KOC (pH 7.4): 363.77
Polar Surface Area: 166 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 463.7±5.0 cm3

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