ChemSpider 2D Image | beta-D-Galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranose | C20H35NO16

β-D-Galactopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-α-D-glucopyranose

  • Molecular FormulaC20H35NO16
  • Average mass545.489 Da
  • Monoisotopic mass545.195557 Da
  • ChemSpider ID88294410

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

α-D-Glucopyranose, O-β-D-galactopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
β-D-Galactopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-α-D-glucopyranose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-2-acetamido-2-desoxy-α-D-glucopyranose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-β-D-glucopyranosyl-(1->4)-2-acétamido-2-désoxy-α-D-glucopyranose [French] [ACD/IUPAC Name]
missing
N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideWURCS=2.0/3,3,2/[a2122h-1a1-52*NCC/3=O][a2122h-1b1-5][a2112h-1b1-5]/1-2-3/a4-b1_b4-c1
β-D-galacto-hexopyranosyl-(1->4)-β-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-α-D-gluco-hexopyranose
  • Miscellaneous

    • Chemical Class:

      An amino trisaccharide that is 2-acetamido-2-deoxy-alpha-D-glucopyranose in which the hydroxy group at position 4 has been glycosylated by beta-lactose. ChEBI CHEBI:147656

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

Density: 1.7±0.1 g/cm3
Boiling Point: 979.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.8±6.0 kJ/mol
Flash Point: 546.1±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 116.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.85
ACD/LogD (pH 5.5): -4.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 278 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 105.0±5.0 dyne/cm
Molar Volume: 317.8±5.0 cm3

Click to predict properties on the Chemicalize site


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