ChemSpider 2D Image | 2-Acetamido-2-deoxy-beta-D-galactopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D -glucopyranose | C40H68N2O31

2-Acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D -glucopyranose

  • Molecular FormulaC40H68N2O31
  • Average mass1072.963 Da
  • Monoisotopic mass1072.380615 Da
  • ChemSpider ID28533188

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D -glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(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-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(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]
β-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->3)-O-α-D-galactopyranosyl-(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]
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-glucopyranose
D-Glucopyranose [ACD/Index Name] [ACD/IUPAC Name]
GalNAcb1-3Gala1-4Galb1-4GlcNAcb1-3Galb1-4Glcb
GalNAcbeta1-3Galalpha1-4Galbeta1-4GlcNAcbeta1-3Galalpha1-4Glcbeta
missing
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  • Miscellaneous

    • Chemical Class:

      An amino hexasaccharide consisting of <element>N</element>-acetyl-<stereo>alpha</stereo>-<stereo>D</stereo>-galactosamine, <stereo>alpha</stereo>-<stereo>D</stereo>-galactose, <stereo>beta</stereo>-<s tereo>D</stereo>-galactose, <element>N</element>-acetyl-<stereo>alpha</stereo>-<stereo>D</stereo>-glucosamine, <stereo>beta</stereo>-<stereo>D</stereo>-galactose, and <stereo>beta</stereo>-<stereo>D</ stereo>-glucose residues joined in sequence with (1<arrow>right</arrow>3)-, (1<arrow>right</arrow>4)-, (1<arrow>right</arrow>4)-, (1<arrow>right</arrow>3)- and (1<arrow>right</arrow>4)-linkages, respe ctively. ChEBI CHEBI:68445
      An amino hexasaccharide consisting of N-acetyl-alpha-D-galactosamine, alpha-D-galactose, beta-D</stereo>-galactose, N-acetyl-alpha-D-glucosamine, beta-D-galactose, and beta-<stereo>D-glucose residues joined in sequence with (1right3)-, (1right4)-, (1right4)-, (1right3)- and (1right4)-linkages, respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68445
      An amino hexasaccharide consisting of N-acetyl-alpha-D-galactosamine, alpha-D-galactose, beta-D-galactose, N-acetyl-alpha-D-glucosamine, beta-D-galactose, and beta-D-glucose residues joined in sequenc e with (1->3)-, (1->4)-, (1->4)-, (1->3)- and (1->4)-linkages, respectively. ChEBI CHEBI:68445

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1457.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 250.7±6.0 kJ/mol
Flash Point: 835.2±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 228.7±0.4 cm3
#H bond acceptors: 33
#H bond donors: 20
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -4.73
ACD/LogD (pH 5.5): -5.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 524 Å2
Polarizability: 90.7±0.5 10-24cm3
Surface Tension: 116.1±5.0 dyne/cm
Molar Volume: 606.7±5.0 cm3

Click to predict properties on the Chemicalize site


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