ChemSpider 2D Image | alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-[beta-D-Xylp-(1->2)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc | C39H66N2O30

α-D-Manp-(1->3)-[α-D-Manp-(1->6)]-[β-D-Xylp-(1->2)]-β-D-Manp-(1->4)-β-D-GlcpNAc-(1->4)-D-GlcpNAc

  • Molecular FormulaC39H66N2O30
  • Average mass1042.937 Da
  • Monoisotopic mass1042.369995 Da
  • ChemSpider ID28184612

  • defined stereocentres - 28 of 29 defined stereocentres

More details:

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

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]
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-D-glucopyr anose [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-D-glucop yranose [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-D-glucop yranose [French] [ACD/IUPAC Name]
α-D-Manp-(1->3)-[α-D-Manp-(1->6)]-[β-D-Xylp-(1->2)]-β-D-Manp-(1->;4)-β-D-GlcpNAc-(1->4)-D-GlcpNAc
(GlcNAc)2 (Man)3 (Xyl)1
(Manalpha1-3)(Manalpha1-6Xylbeta1-2)Manbeta1-4GlcNAcbeta1-4GlcNAc
Manalpha1->6(Manalpha1->3)(Xylbeta1->2)Manbeta1->4GlcNAcbeta1->4GlcNAc
Manalpha1-3(Manalpha1-6)(Xylbeta1-2)Manbeta1-4GlcNAcbeta1-4GlcNAc
Man-α-(1->6)-[Man-α-(1->3)]-[Xyl-β-(1->2)]-Man-β-(1->4)-GlcNAc-β-(1->4)-GlcNAc
More...
  • Miscellaneous

    • Chemical Class:

      A branched amino hexasaccharide compound consisting of the linear trisaccharide <stereo>beta</stereo>-<stereo>D</stereo>-mannosyl-(1<arrow>right</arrow>4)-<element>N</element>-acetyl-<stereo>beta</ste reo>-<stereo>D</stereo>-glucosaminyl-(1<arrow>right</arrow>4)-<element>N</element>-acetyl-<stereo>D</stereo>-glucosamine in which the mannosyl residue has a <stereo>beta</stereo>-<stereo>D</stereo>-xy losyl residue attached at position 2 as well as two <stereo>alpha</stereo>-<stereo>D</stereo>-mannosyl residues at positions 3 and 6. ChEBI CHEBI:53464
      A branched amino hexasaccharide compound consisting of the linear trisaccharide beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine in which the mannosyl residue has a be ta-D-xylosyl residue attached at position 2 as well as two alpha-D-mannosyl residues at positions 3 and 6. ChEBI CHEBI:53464
      A branched amino hexasaccharide compound consisting of the linear trisaccharide beta-D-mannosyl-(1right4)-N-acetyl-beta-D-glucosaminyl-(1right4)-N-acetyl-D-glucosamine in which the mannosyl residue ha s a beta-D-xylosyl residue attached at position 2 as well as two alpha-D-mannosyl residues at positions 3 and 6. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53464

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1412.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 241.8±6.0 kJ/mol
Flash Point: 808.3±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 222.5±0.4 cm3
#H bond acceptors: 32
#H bond donors: 19
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -6.33
ACD/LogD (pH 5.5): -7.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 504 Å2
Polarizability: 88.2±0.5 10-24cm3
Surface Tension: 113.6±5.0 dyne/cm
Molar Volume: 593.1±5.0 cm3

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