ChemSpider 2D Image | (3beta,16beta)-16-(alpha-L-Arabinopyranosyloxy)-17-hydroxy-22-oxocholest-5-en-3-yl beta-D-glucopyranoside | C38H62O13

(3β,16β)-16-(α-L-Arabinopyranosyloxy)-17-hydroxy-22-oxocholest-5-en-3-yl β-D-glucopyranoside

  • Molecular FormulaC38H62O13
  • Average mass726.891 Da
  • Monoisotopic mass726.419067 Da
  • ChemSpider ID9236739
  • defined stereocentres - 18 of 18 defined stereocentres


More details:






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

(3β,16β)-16-(α-L-Arabinopyranosyloxy)-17-hydroxy-22-oxocholest-5-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,16β)-16-(α-L-Arabinopyranosyloxy)-17-hydroxy-22-oxocholest-5-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Cholest-5-en-22-one, 16-(α-L-arabinopyranosyloxy)-3-(β-D-glucopyranosyloxy)-17-hydroxy-, (3β,16β)- [ACD/Index Name]
β-D-Glucopyranoside de (3β,16β)-16-(α-L-arabinopyranosyloxy)-17-hydroxy-22-oxocholest-5-én-3-yle [French] [ACD/IUPAC Name]
16[β]-[([α]-L-arabinopyranosyl)oxy]-3[β]-[([β]-D-glucopyranosyl)oxy]-17[α]-hydroxycholest-5-en-22-one
365461-51-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 860.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.1±6.0 kJ/mol
Flash Point: 258.3±27.8 °C
Index of Refraction: 1.602
Molar Refractivity: 184.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.26
ACD/KOC (pH 5.5): 370.86
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.26
ACD/KOC (pH 7.4): 370.86
Polar Surface Area: 216 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 537.4±5.0 cm3

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