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

α-D-GalpNAc-(1->3)-β-D-GalpNAc-(1->3)-α-D-Galp-(1->4)-β-D-Galp-(1->4)-β-D-Galp

  • Molecular FormulaC34H58N2O26
  • Average mass910.822 Da
  • Monoisotopic mass910.327759 Da
  • ChemSpider ID34999801

  • 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-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-α-D-galactopyranosyl-(1->3)-2-acetamido-2-desoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-D-galactopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-GalpNAc-(1->3)-β-D-GalpNAc-(1->3)-α-D-Galp-(1->4)-β-D-Galp-(1->4)-β-D-Galp
β-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->3)-O-α-D-galactopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1- >4)- [ACD/Index Name]
GalNAca1-3GalNAcb1-3Gala1-4Galb1-4Glcb
GalNAcalpha1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta
missing
N-acetyl-α-D-galactosaminyl-(1->3)-N-acetyl-β-D-galactosaminyl-(1->3)-α-D-galactosyl-(1->4)-β-D-galactosyl-(1->4)-β-D-glucose
O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->3)-O-α-D-galactopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoseWURCS=2.0/5,5,4/[a2122h-1b1-5][a2112h-1b1-5][a2112h-1a1-5][a2112h-1b1-52*NCC/3=O][a2112h-1a1-52*NCC/3=O]/1-2-3-4-5/a4-b1b4-c1c3-d1d3-e1
More...
  • Miscellaneous

    • Chemical Class:

      A linear amino pentasaccharide comprising <element>N</element>-acetyl-<stereo>alpha</stereo>-<stereo>D</stereo>-galactosamine, <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-gala ctosamine, <stereo>alpha</stereo>-<stereo>D</stereo>-galactose, <stereo>beta</stereo>-<stereo>D</stereo>-galactose and <stereo>beta</stereo>-<stereo>D</stereo>-glucose residues linked sequentially (1< arrow>right</arrow>3), (1<arrow>right</arrow>3), (1<arrow>right</arrow>4) and (1<arrow>right</arrow>4). ChEBI CHEBI:85789
      A linear amino pentasaccharide comprising N-acetyl-alpha-D-galactosamine, N-acetyl-beta-D-gala; ctosamine, alpha-D-galactose, beta-D-galactose and beta-D-glucose residues linked sequentially (1right3) , (1right3), (1right4) and (1right4). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85789
      A linear amino pentasaccharide comprising N-acetyl-alpha-D-galactosamine, N-acetyl-beta-D-galactosamine, alpha-D-galactose, beta-D-galactose and beta-D-glucose residues linked sequentially (1->3), (1- >3), (1->4) and (1->4). ChEBI CHEBI:85789

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1319.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 223.4±6.0 kJ/mol
Flash Point: 751.5±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: -4.82
ACD/LogD (pH 5.5): -5.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.78
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

Click to predict properties on the Chemicalize site


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