ChemSpider 2D Image | beta-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopy ranose | C40H68N2O31

β-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucopy ranose

  • Molecular FormulaC40H68N2O31
  • Average mass1072.963 Da
  • Monoisotopic mass1072.380615 Da
  • ChemSpider ID128920051

  • defined stereocentres - 29 of 30 defined stereocentres

More details:

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

D-Glucopyranose, O-β-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-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]
β-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->;3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucopy ;ranose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->3)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-gluco ;pyranose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-gluco ;pyranose [French] [ACD/IUPAC Name]
Gal(b1-3)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)Glc
Galbeta1-3GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc
Para-lacto-N-hexaose
WURCS=2.0/3,6,5/[a2122h-1x1-5][a2112h-1b1-5][a2122h-1b1-52*NCC/3=O]/1-2-3-2-3-2/a4-b1b3-c1c4-d1d3-e1e3-f1
β-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1->3)-β-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1->3)-β-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranosepLNH
  • Miscellaneous

    • Chemical Class:

      A linear amino hexasaccharide comprised of beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose and D-glucose residues linked sequentially (1- >3), (1->3), (1->4), (1->3) and (1->4). It is found in human milk. ChEBI CHEBI:151275

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1451.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 249.6±6.0 kJ/mol
Flash Point: 831.6±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: -4.43
ACD/LogD (pH 5.5): -5.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.50
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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