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

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

  • Molecular FormulaC54H92O24
  • Average mass1125.294 Da
  • Monoisotopic mass1124.597900 Da
  • ChemSpider ID111318747

  • defined stereocentres - 28 of 30 defined stereocentres

More details:

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

(1R,4S,9α,11β,13α,14β,17ξ,20S,24S)-1-{[(5ξ)-6-O-(β-L-Glucopyranosyl)-β-L-xylo-hexopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl 2-O-β- D-glucopyranosyl-β-L-glucopyranoside [ACD/IUPAC Name]
(1R,4S,9α,11β,13α,14β,17ξ,20S,24S)-1-{[(5ξ)-6-O-(β-L-Glucopyranosyl)-β-L-xylo-hexopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl-2-O-β- D-glucopyranosyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-L-glucopyranoside de (1R,4S,9α,11β,13α,14β,17ξ,20S,24S)-1-{[(5ξ)-6-O-(β-L-glucopyranosyl)-β-L-xylo-hexopyranosyl]oxy}-11,25-dihydroxy-9,10,14-trimé thyl-4,9-cyclo-9,10-sécocholest-5-én-24-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (1S,4S)-4-[(3α,11β,13α,14β)-3-[[(5ξ)-6-O-β-L-glucopyranosyl-β-L-xylo-hexopyranosyl]oxy]-11-hydroxy-4,4,9,14-tetramethylestr-5-en-17-yl]-1-(1-hydroxy-1-meth ylethyl)pentyl 2-O-β-D-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

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