ChemSpider 2D Image | (1beta,3beta,13xi,16beta,22S)-16-(beta-D-Glucopyranosyloxy)-3,22-dihydroxycholesta-5,24-dien-1-yl 6-O-beta-D-galactopyranosyl-beta-D-glucopyranoside | C45H74O19

(1β,3β,13ξ,16β,22S)-16-(β-D-Glucopyranosyloxy)-3,22-dihydroxycholesta-5,24-dien-1-yl 6-O-β-D-galactopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC45H74O19
  • Average mass919.058 Da
  • Monoisotopic mass918.482422 Da
  • ChemSpider ID57641775
  • 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)-16-(β-D-Glucopyranosyloxy)-3,22-dihydroxycholesta-5,24-dien-1-yl 6-O-β-D-galactopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(1β,3β,13ξ,16β,22S)-16-(β-D-Glucopyranosyloxy)-3,22-dihydroxycholesta-5,24-dien-1-yl-6-O-β-D-galactopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Galactopyranosyl-β-D-glucopyranoside de (1β,3β,13ξ,16β,22S)-16-(β-D-glucopyranosyloxy)-3,22-dihydroxycholesta-5,24-dién-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1β,3β,13ξ,16β,22S)-16-(β-D-glucopyranosyloxy)-3,22-dihydroxycholesta-5,24-dien-1-yl 6-O-β-D-galactopyranosyl- [ACD/Index Name]
(22S)-1[β]-[(O-[β]-D-glucopyranosyl-(1[to]6)-[β]-D-glucopyranosyl)oxy]-3[β],22-dihydroxycholesta-5,24-dien-16[β]-yl [β]-D-glucopyranoside
263570-72-5 [RN]

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

Click to predict properties on the Chemicalize site






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