ChemSpider 2D Image | (3beta,5alpha,6alpha,22E,25R)-26-(beta-D-Glucopyranosyloxy)-3,20-dihydroxyfurost-22-en-6-yl 6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C44H72O18

(3β,5α,6α,22E,25R)-26-(β-D-Glucopyranosyloxy)-3,20-dihydroxyfurost-22-en-6-yl 6-deoxy-3-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC44H72O18
  • Average mass889.032 Da
  • Monoisotopic mass888.471863 Da
  • ChemSpider ID58113408

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(3β,5α,6α,22E,25R)-26-(β-D-Glucopyranosyloxy)-3,20-dihydroxyfurost-22-en-6-yl 6-deoxy-3-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5α,6α,22E,25R)-26-(β-D-Glucopyranosyloxy)-3,20-dihydroxyfurost-22-en-6-yl-6-desoxy-3-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-3-O-β-D-xylopyranosyl-β-D-glucopyranoside de (3β,5α,6α,22E,25R)-26-(β-D-glucopyranosyloxy)-3,20-dihydroxyfurost-22-én-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5α,6α,22E,25R)-26-(β-D-glucopyranosyloxy)-3,20-dihydroxyfurost-22-en-6-yl 6-deoxy-3-O-β-D-xylopyranosyl- [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: 1023.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 169.3±6.0 kJ/mol
Flash Point: 572.5±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 217.7±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 43.06
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.35
ACD/KOC (pH 7.4): 43.06
Polar Surface Area: 287 Å2
Polarizability: 86.3±0.5 10-24cm3
Surface Tension: 76.8±5.0 dyne/cm
Molar Volume: 612.2±5.0 cm3

Click to predict properties on the Chemicalize site


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