ChemSpider 2D Image | alpha-D-GlcpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp | C34H58N2O26

α-D-GlcpNAc-(1->4)-β-D-Galp-(1->4)-β-D-GlcpNAc-(1->3)-β-D-Galp-(1->4)-β-D-Glcp

  • Molecular FormulaC34H58N2O26
  • Average mass910.822 Da
  • Monoisotopic mass910.327759 Da
  • ChemSpider ID28533514

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-α-D-glucopyranosyl-(1->4)-β-D-galactopyranosyl-(1->;4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosato(5-) [ACD/IUPAC Name]
2-Acetamido-2-desoxy-α-D-glucopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-D-glucopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-GlcpNAc-(1->4)-β-D-Galp-(1->4)-β-D-GlcpNAc-(1->3)-β-D-Galp-(1->4)-β-D-Glcp
β-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-α-D-glucopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
GlcNAcalpha1-4Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta
N-acetyl-α-D-glucosaminyl-(1->4)-β-D-galactosyl-(1->;4)-N-acetyl-α-D-glucosaminyl-(1->3)-β-D-galactosyl-(1->4)-β-D-glucose
α-D-GlcNAc-(1->4)-β-D-Gal-(1->4)-β-D-GlcNAc-(1->3)-β-D-Gal-(1->4)-β-D-Glc
  • Miscellaneous

    • Chemical Class:

      A linear amino pentasaccharide comprising <stereo>beta</stereo>-<stereo>D</stereo>-glucose at the reducing end with an <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosaminyl -(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosaminyl-(1<arrow>right< /arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl moiety at the 4-position. ChEBI CHEBI:71282
      A linear amino pentasaccharide comprising beta-D-glucose at the reducing end with an N-acetyl-beta-D-glucosaminyl; -(1right4)-beta-D-galactosyl-(1right4)-N-acetyl-beta-D-glucosaminyl-(1<arrow>right<; /arrow>4)-beta-D-galactosyl moiety at the 4-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71282

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1325.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 224.6±6.0 kJ/mol
Flash Point: 755.4±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 195.0±0.4 cm3
#H bond acceptors: 28
#H bond donors: 17
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -4.54
ACD/LogD (pH 5.5): -5.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 445 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 110.6±5.0 dyne/cm
Molar Volume: 523.9±5.0 cm3

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