ChemSpider 2D Image | XylManGlcNAcFucGlcNAc | C33H56N2O24

XylManGlcNAcFucGlcNAc

  • Molecular FormulaC33H56N2O24
  • Average mass864.797 Da
  • Monoisotopic mass864.322327 Da
  • ChemSpider ID24606149

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

6-Deoxy-α-L-galactopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
6-Deoxy-α-L-galactopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)-β-D-mannopyranosyl-(1->4)-2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucopyranosyl-(1->4)]-2-deoxy-2-[(E)-(1-hydroxyethy lidene)amino]-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)-β-D-mannopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)-β-D-mannopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)]-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)-β-D-mannopyranosyl-(1->4)-2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranosyl-(1->4)]-2-desoxy-2-[(E)-(1-hydroxyet hyliden)amino]-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)-β-D-mannopyranosyl-(1->4)-2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranosyl-(1->4)]-2-désoxy-2-[(E)-(1-hydroxyé thylidène)amino]-β-D-glucopyranose [French] [ACD/IUPAC Name]
XylManGlcNAcFucGlcNAc
β-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->3)-O-[O-β-D-xylopyranosyl-(1->2)-O-β-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-(acetylamino)-2- deoxy- [ACD/Index Name]
β-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->3)-O-[O-β-D-xylopyranosyl-(1->2)-O-β-D-mannopyranosyl-(1->4)-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-glucopyranosyl-(1->4) ]-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]- [ACD/Index Name]
Xyl-β-1-2Man-β1-4GlcNAc-β-1-4(Fuc-α-1-3)GlcNAc

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point: 1178.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 196.9±6.0 kJ/mol
Flash Point: 666.4±37.1 °C
Index of Refraction: 1.707
Molar Refractivity: 172.7±0.5 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.98
ACD/LogD (pH 7.4): -1.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.00
Polar Surface Area: 411 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 80.7±7.0 dyne/cm
Molar Volume: 443.4±7.0 cm3

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