ChemSpider 2D Image | Man2XylManGlcNAc2 | C39H66N2O30

Man2XylManGlcNAc2

  • Molecular FormulaC39H66N2O30
  • Average mass1042.937 Da
  • Monoisotopic mass1042.369995 Da
  • ChemSpider ID24606152

  • defined stereocentres - 29 of 29 defined stereocentres

More details:

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

Man2XylManGlcNAc2
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-[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-glu copyranose [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-[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-g lucopyranose [German] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-[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-g lucopyranose [French] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-[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-hydroxyethylidene)amino]-β-D-glucopyranose [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-[β-D-xylopyranosyl-(1->2)]-β-D-mannopyranosyl-(1->4)-2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranosyl-(1->4)-2-desox y-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-[β-D-xylopyranosyl-(1->2)]-β-D-mannopyranosyl-(1->4)-2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranosyl-(1->4)-2-déso xy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-α-D-mannopyranosyl-(1->3)-O-[α-D-mannopyranosyl-(1->6)]-O-[β-D-xylopyranosyl-(1->2)]-O-β-D-mannopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-( 1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
β-D-Glucopyranose, O-α-D-mannopyranosyl-(1->3)-O-[α-D-mannopyranosyl-(1->6)]-O-[β-D-xylopyranosyl-(1->2)]-O-β-D-mannopyranosyl-(1->4)-O-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-bet a-D-glucopyranosyl-(1->4)-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]- [ACD/Index Name]
Manalpha1->6(Manalpha1->3)(Xylbeta1->2)Manbeta1->4GlcNAcbeta1->4GlcNAcbeta
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  • Miscellaneous

    • Chemical Class:

      A branched amino hexasaccharide compound consisting of the linear trisaccharide beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine in which the mannosyl residue has a beta-D-xylosyl residue attached at position 2 as well as two alpha-D-mannosyl residues at positions 3 and 6. ChEBI CHEBI:152134

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1361.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 231.6±6.0 kJ/mol
Flash Point: 777.0±37.1 °C
Index of Refraction: 1.727
Molar Refractivity: 204.2±0.5 cm3
#H bond acceptors: 32
#H bond donors: 19
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -4.41
ACD/LogD (pH 5.5): -5.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 511 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 88.5±7.0 dyne/cm
Molar Volume: 513.3±7.0 cm3

Click to predict properties on the Chemicalize site


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