ChemSpider 2D Image | (1R,8beta,9alpha,11beta,13alpha,14beta,17alpha,20S,24S)-1-{[6-O-(beta-L-Glucopyranosyl)-beta-L-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl 2-O-beta-L-gl ucopyranosyl-beta-L-glucopyranoside | C54H92O24

(1R,8β,9α,11β,13α,14β,17α,20S,24S)-1-{[6-O-(β-L-Glucopyranosyl)-β-L-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl 2-O-β-L-gl ucopyranosyl-β-L-glucopyranoside

  • Molecular FormulaC54H92O24
  • Average mass1125.294 Da
  • Monoisotopic mass1124.597900 Da
  • ChemSpider ID114546237

  • defined stereocentres - 29 of 30 defined stereocentres

More details:

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

(1R,8β,9α,11β,13α,14β,17α,20S,24S)-1-{[6-O-(β-L-Glucopyranosyl)-β-L-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl 2-O-β-L-gl
 ucopyranosyl-β-L-glucopyranoside [ACD/IUPAC Name]
(1R,8β,9α,11β,13α,14β,17α,20S,24S)-1-{[6-O-(β-L-Glucopyranosyl)-β-L-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl-2-O-β-L-gl
 ucopyranosyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-L-Glucopyranosyl-β-L-glucopyranoside de (1R,8β,9α,11β,13α,14β,17α,20S,24S)-1-{[6-O-(β-L-glucopyranosyl)-β-L-glucopyranosyl]oxy}-11,25-dihydroxy-9,10,14-triméthyl ; -4,9-cyclo-9,10-sécocholest-5-én-24-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (1S,4S)-4-[(3α,8α,10ξ,11β,13α,14β,17α)-3-[(6-O-β-L-glucopyranosyl-β-L-glucopyranosyl)oxy]-11-hydroxy-4,4,9,14-tetramethylestr-5-en-17-yl]-1-(1-hydr
 oxy-1-methylethyl)pentyl 2-O-β-L-glucopyranosyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 1179.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 197.1±6.0 kJ/mol
Flash Point: 667.0±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 273.4±0.4 cm3
#H bond acceptors: 24
#H bond donors: 16
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.88
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.88
Polar Surface Area: 398 Å2
Polarizability: 108.4±0.5 10-24cm3
Surface Tension: 81.7±5.0 dyne/cm
Molar Volume: 766.1±5.0 cm3

Click to predict properties on the Chemicalize site


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