ChemSpider 2D Image | (1S,4R,8xi,9beta,11alpha)-1-(beta-D-Glucopyranosyloxy)-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucop yranoside | C54H92O24

(1S,4R,8ξ,9β,11α)-1-(β-D-Glucopyranosyloxy)-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->6)]-β-D-glucop yranoside

  • Molecular FormulaC54H92O24
  • Average mass1125.294 Da
  • Monoisotopic mass1124.597900 Da
  • ChemSpider ID57620673

  • defined stereocentres - 28 of 30 defined stereocentres

More details:

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

(1S,4R,8ξ,9β,11α)-1-(β-D-Glucopyranosyloxy)-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->;6)]-β-D-glucop ; yranoside [ACD/IUPAC Name]
(1S,4R,8ξ,9β,11α)-1-(β-D-Glucopyranosyloxy)-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl-β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->;6)]-β-D-glucop ; yranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, (4R)-4-[(3β,8ξ,9β,10α,11α,17β)-3-(β-D-glucopyranosyloxy)-11-hydroxy-4,4,9,14-tetramethylestr-5-en-17-yl]-1-(1-hydroxy-1-methylethyl)pentyl O-β-D-glucopy ranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->6)]- [ACD/Index Name]
β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranoside de (1S,4R,8ξ,9β,11α)-1-(β-D-glucopyranosyloxy)-11,25-dihydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholes ; t-5-én-24-yle [French] [ACD/IUPAC Name]
126105-12-2 [RN]
Siamenoside I [Wiki]

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


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