ChemSpider 2D Image | (1R,4S,8beta,9alpha,11beta,13alpha,14beta,17alpha,20S,24S)-1-(beta-L-Glucopyranosyloxy)-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl beta-L-glucopyranosyl-(1->2)-[beta-L-glu copyranosyl-(1->6)]-beta-L-glucopyranoside | C54H92O24

(1R,4S,8β,9α,11β,13α,14β,17α,20S,24S)-1-(β-L-Glucopyranosyloxy)-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl β-L-glucopyranosyl-(1->2)-[β-L-glu copyranosyl-(1->6)]-β-L-glucopyranoside

  • Molecular FormulaC54H92O24
  • Average mass1125.294 Da
  • Monoisotopic mass1124.597900 Da
  • ChemSpider ID68899550

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

(1R,4S,8β,9α,11β,13α,14β,17α,20S,24S)-1-(β-L-Glucopyranosyloxy)-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl β-L-glucopyranosyl-(1->2)-[β-L-glu copyranosyl-(1->6)]-β-L-glucopyranoside [ACD/IUPAC Name]
(1R,4S,8β,9α,11β,13α,14β,17α,20S,24S)-1-(β-L-Glucopyranosyloxy)-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl-β-L-glucopyranosyl-(1->2)-[β-L-glu copyranosyl-(1->6)]-β-L-glucopyranosid [German] [ACD/IUPAC Name]
β-L-Glucopyranoside, (1S,4S)-4-[(3α,8α,11β,13α,14β,17α)-3-(β-L-glucopyranosyloxy)-11-hydroxy-4,4,9,14-tetramethylestr-5-en-17-yl]-1-(1-hydroxy-1-methylethyl)pentyl O-β-L
 -glucopyranosyl-(1->2)-O-[β-L-glucopyranosyl-(1->6)]- [ACD/Index Name]
β-L-Glucopyranosyl-(1->2)-[β-L-glucopyranosyl-(1->6)]-β-L-glucopyranoside de (1R,4S,8β,9α,11β,13α,14β,17α,20S,24S)-1-(β-L-glucopyranosyloxy)-11,25-dihydroxy-9,10,14-tr iméthyl-4,9-cyclo-9,10-sécocholest-5-én-24-yle [French] [ACD/IUPAC 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: -0.77
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.64
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.64
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


Advertisement