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Search term: GPZUBNHXGFMMJU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3beta)-22,26-Dihydroxyfurost-5-en-3-yl alpha-L-xylopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside | C44H72O18

(3β)-22,26-Dihydroxyfurost-5-en-3-yl α-L-xylopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-β-D-glucopyranoside

  • Molecular FormulaC44H72O18
  • Average mass889.032 Da
  • Monoisotopic mass888.471863 Da
  • ChemSpider ID13079520

  • defined stereocentres - 23 of 25 defined stereocentres

More details:

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

(3β)-22,26-Dihydroxyfurost-5-en-3-yl α-L-xylopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β)-22,26-Dihydroxyfurost-5-en-3-yl-α-L-xylopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
α-L-Xylopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-β-D-glucopyranoside de (3β)-22,26-dihydroxyfurost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β)-22,26-dihydroxyfurost-5-en-3-yl O-α-L-xylopyranosyl-(1->3)-O-β-D-glucopyranosyl-(1->4)- [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: 1031.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 170.8±6.0 kJ/mol
Flash Point: 577.7±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 217.8±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.89
ACD/KOC (pH 5.5): 108.28
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.89
ACD/KOC (pH 7.4): 108.28
Polar Surface Area: 287 Å2
Polarizability: 86.3±0.5 10-24cm3
Surface Tension: 77.5±5.0 dyne/cm
Molar Volume: 611.6±5.0 cm3

Click to predict properties on the Chemicalize site


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