ChemSpider 2D Image | (1beta,3beta,13xi,16beta,22S)-1-{[6-O-(beta-D-Galactopyranosyl)-beta-D-glucopyranosyl]oxy}-3,22-dihydroxycholest-5-en-16-yl beta-D-glucopyranoside | C45H76O19

(1β,3β,13ξ,16β,22S)-1-{[6-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyl]oxy}-3,22-dihydroxycholest-5-en-16-yl β-D-glucopyranoside

  • Molecular FormulaC45H76O19
  • Average mass921.073 Da
  • Monoisotopic mass920.498108 Da
  • ChemSpider ID57641776
  • defined stereocentres - 25 of 26 defined stereocentres


More details:






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

(1β,3β,13ξ,16β,22S)-1-{[6-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyl]oxy}-3,22-dihydroxycholest-5-en-16-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1β,3β,13ξ,16β,22S)-1-{[6-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyl]oxy}-3,22-dihydroxycholest-5-en-16-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1β,3β,13ξ,16β,22S)-1-{[6-O-(β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy}-3,22-dihydroxycholest-5-én-16-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1β,3β,13ξ,16β,22S)-1-[(6-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]-3,22-dihydroxycholest-5-en-16-yl [ACD/Index Name]
(22S)-1[β]-[(O-[β]-D-glucopyranosyl-(1[to]6)-[β]-D-glucopyranosyl)oxy]-3[β],22-dihydroxycholest-5-en-16[β]-yl [β]-D-glucopyranoside
263570-73-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 1046.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 173.3±6.0 kJ/mol
Flash Point: 586.5±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 225.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 13
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.97
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.97
Polar Surface Area: 318 Å2
Polarizability: 89.5±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 636.2±5.0 cm3

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