ChemSpider 2D Image | 6-Deoxy-alpha-L-galactopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-alpha-D-glucopyranose | C28H48N2O20

6-Deoxy-α-L-galactopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-α-D-glucopyranose

  • Molecular FormulaC28H48N2O20
  • Average mass732.682 Da
  • Monoisotopic mass732.280029 Da
  • ChemSpider ID88294321

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

6-Deoxy-α-L-galactopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->;4)]-2-acetamido-2-deoxy-α-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-desoxy-α-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)]-2-acétamido-2-désoxy-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->3)-O-[O-α-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
missing
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamideWURCS=2.0/4,4,3/[a2122h-1a1-52*NCC/3=O][a1221m-1a1-5][a2122h-1b1-52*NCC/3=O][a1122h-1a1-5]/1-2-3-4/a3-b1a4-c1c4-d1
α-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-α-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-α-D-gluco-hexopyranose
  • Miscellaneous

    • Chemical Class:

      An aminotetrasaccharide that is 2-acetamido-alpha-D-glucopyranose in which the hydroxy groups at positions 3 and 4 have been glycosylated by alpha-L-fucopyranosyl and 2-acetamido-4-O-alpha-D-mannopyra nosyl-beta-D-glucopyranosyl groups, respectively. ChEBI CHEBI:146993

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1128.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 187.9±6.0 kJ/mol
Flash Point: 636.3±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 159.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.02
ACD/LogD (pH 5.5): -4.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 345 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 96.3±5.0 dyne/cm
Molar Volume: 443.5±5.0 cm3

Click to predict properties on the Chemicalize site


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