ChemSpider 2D Image | (1beta,3beta,16beta,22S)-1-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-3,22-dihydroxycholesta-5,24-dien-16-yl beta-D-glucopyranoside | C45H74O19

(1β,3β,16β,22S)-1-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-3,22-dihydroxycholesta-5,24-dien-16-yl β-D-glucopyranoside

  • Molecular FormulaC45H74O19
  • Average mass919.058 Da
  • Monoisotopic mass918.482422 Da
  • ChemSpider ID9300977
  • defined stereocentres - 26 of 26 defined stereocentres


More details:






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

(1β,3β,16β,22S)-1-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-3,22-dihydroxycholesta-5,24-dien-16-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1β,3β,16β,22S)-1-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-3,22-dihydroxycholesta-5,24-dien-16-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1β,3β,16β,22S)-1-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-3,22-dihydroxycholesta-5,24-dién-16-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1β,3β,16β,22S)-1-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3,22-dihydroxycholesta-5,24-dien-16-yl [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1056.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 175.1±6.0 kJ/mol
Flash Point: 592.8±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 225.4±0.4 cm3
#H bond acceptors: 19
#H bond donors: 13
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.86
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.86
Polar Surface Area: 318 Å2
Polarizability: 89.3±0.5 10-24cm3
Surface Tension: 80.1±5.0 dyne/cm
Molar Volume: 628.8±5.0 cm3

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