ChemSpider 2D Image | 6-Deoxy-alpha-L-galactopyranosyl-(1->4)-[alpha-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose | C34H58N2O25

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

  • Molecular FormulaC34H58N2O25
  • Average mass894.823 Da
  • Monoisotopic mass894.332886 Da
  • ChemSpider ID88294290

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

6-Deoxy-α-L-galactopyranosyl-(1->4)-[α-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->4)-[α-D-galactopyranosyl-(1->3)]-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->4)-[α-D-galactopyranosyl-(1->3)]-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->4)-O-[α-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-2-(acetylami no)-2-deoxy- [ACD/Index Name]
missing
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideWURCS=2.0/4,5,4/[a2122h-1b1-52*NCC/3=O][a2112h-1b1-5][a2112h-1a1-5][a1221m-1a1-5]/1-2-1-3-4/a4-b1b3-c1c3-d1c4-e1
α-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-α-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1->3)-β-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranose
  • Miscellaneous

    • Chemical Class:

      An amino pentasaccharide consisting of alpha-L-fucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose, and 2-acetamido-2-deoxy-beta-D-glucopyranose joined in sequence by (1->4) , (1->3), and (1->4) glycosidic bonds and in which the hydroxy group at position 3 of the non-terminal 2-acetamido-2-deoxy-beta-D-glucopyranose moiety has been to the corresponding alpha-D-galactopyra noside. ChEBI CHEBI:146810

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1278.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 215.5±6.0 kJ/mol
Flash Point: 726.7±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 193.4±0.4 cm3
#H bond acceptors: 27
#H bond donors: 16
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -3.63
ACD/LogD (pH 5.5): -4.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 424 Å2
Polarizability: 76.7±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 526.8±5.0 cm3

Click to predict properties on the Chemicalize site


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