ChemSpider 2D Image | beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-GlcpNAc-(1->4)-D-GlcpNAc | C50H84N4O36

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

  • Molecular FormulaC50H84N4O36
  • Average mass1317.207 Da
  • Monoisotopic mass1316.486572 Da
  • ChemSpider ID8324252

  • defined stereocentres - 34 of 35 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido -2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetami do-2-desoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acétami do-2-désoxy-β-D-glucopyranosyl-(1->4)-2-acétamido-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-O-α-D-mannopyranosyl-(1->3)-O-[O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-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-GlcpNAc-(1->2)-α-D-Manp-(1->3)-[β-D-GlcpNAc-(1->2)-α-D-Manp-(1->6)]-β-D-Manp-(1->4)-β-GlcpNAc-(1->4)-D-GlcpNAc
(GlcNAc)4 (Man)3
2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-D-glucopyranoseGlcNAcbeta1-2Manalpha1-3(GlcNAcbeta1-2Manalpha1-6)Manbeta1-4GlcNAcbeta1-4GlcNAc
2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-D-glucopyranoseβ-D-GlcNAc-(1->;2)-α-D-Man-(1->3)-[β-D-GlcNAc-(1->2)-α-D-Man-(1->6)]-β-D-Man-(1->4)-β-GlcNAc-(1->4)-D-GlcNAc
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose
More...

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

CHEBI:62295 [DBID]
  • Miscellaneous

    • Chemical Class:

      An amino heptasaccharide derivative that is <stereo>beta</stereo>-<stereo>D</stereo>-Man-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-GlcNAc-(1<arrow>right</arrow>4)-GlcNAc in whi ch the mannosyl group is substituted at positions 3 and 6 by <stereo>beta</stereo>-<stereo>D</stereo>-GlcNAc-(1<arrow>right</arrow>2)-<stereo>alpha</stereo>-<stereo>D</stereo>-Man groups. ChEBI CHEBI:62295
      An amino heptasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc in which the mannosyl group is substituted at positions 3 and 6 by beta-D-GlcNAc-(1->2)-alpha-D-Man groups. ChEBI CHEBI:62295
      An amino heptasaccharide derivative that is beta-D-Man-(1right4)-beta-D-GlcNAc-(1right4)-GlcNAc in whi; ch the mannosyl group is substituted at positions 3 and 6 by beta-D-GlcNAc-(1right2)-alpha-D-Man groups. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62295

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1673.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 296.2±6.0 kJ/mol
Flash Point: 966.1±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 285.4±0.4 cm3
#H bond acceptors: 40
#H bond donors: 23
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -3.49
ACD/LogD (pH 5.5): -5.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 621 Å2
Polarizability: 113.1±0.5 10-24cm3
Surface Tension: 109.1±5.0 dyne/cm
Molar Volume: 766.4±5.0 cm3

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