ChemSpider 2D Image | beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc | C16H28N2O11

β-D-GalpNAc-(1->4)-β-D-GlcpNAc

  • Molecular FormulaC16H28N2O11
  • Average mass424.400 Da
  • Monoisotopic mass424.169312 Da
  • ChemSpider ID25053278

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-Acetamido-4-O-(2-acetamido-2-deoxy-β-D-galactopyranosyl)-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-4-O-(2-acetamido-2-desoxy-β-D-galactopyranosyl)-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-4-O-(2-acétamido-2-désoxy-β-D-galactopyranosyl)-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-GalpNAc-(1->4)-β-D-GlcpNAc
β-D-Glucopyranose, 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]-2-deoxy- [ACD/Index Name]
2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]-2-deoxy-β-D-glucopyranose
GalNAcb1-4GlcNAcb
GalNAcbeta1-4GlcNAcbeta
missing
WURCS=2.0/2,2,1/[a2122h-1b1-52*NCC/3=O][a2112h-1b1-52*NCC/3=O]/1-2/a4-b1
More...
  • Miscellaneous

    • Chemical Class:

      <stereo>beta</stereo>-<stereo>D</stereo>-Gal<ringsugar>p</ringsugar>NAc-(1<arrow>right</arrow>4)-<stereo>D</stereo>-Glc<ringsugar>p</ringsugar>NAc with <stereo>beta</stereo> configuration at the reduc ing-end anomeric centre. ChEBI CHEBI:68448
      beta-D-GalpNAc-(1->4)-D-GlcpNAc with beta configuration at the reducing-end anomeric centre. ChEBI CHEBI:68448
      beta-D-GalpNAc-(1right4)-D-GlcpNAc with beta configuration at the reduc; ing-end anomeric centre. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68448

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

Density: 1.6±0.1 g/cm3
Boiling Point: 902.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.9±6.0 kJ/mol
Flash Point: 499.5±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 82.7±5.0 dyne/cm
Molar Volume: 272.4±5.0 cm3

Click to predict properties on the Chemicalize site


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