ChemSpider 2D Image | alpha-D-Mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranose | C32H55NO26

α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-α-D-glucopyranose

  • Molecular FormulaC32H55NO26
  • Average mass869.770 Da
  • Monoisotopic mass869.301208 Da
  • ChemSpider ID88294188

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

α-D-Glucopyranose, O-α-D-mannopyranosyl-(1->3)-O-[O-α-D-mannopyranosyl-(1->3)-α-D-mannopyranosyl-(1->6)]-O-β-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->;4)-2-acetamido-2-deoxy-α-D-glucopyranose [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->;4)-2-acetamido-2-desoxy-α-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->;4)-2-acétamido-2-désoxy-α-D-glucopyranose [French] [ACD/IUPAC Name]
missing
N-[(2S,3R,4R,5S,6R)-5-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideWURCS=2.0/3,5,4/[a2122h-1a1-52*NCC/3=O][a1122h-1b1-5][a1122h-1a1-5]/1-2-3-3-3/a4-b1b3-c1b6-d1_d3-e1
α-D-manno-hexopyranosyl-(1->3)-α-D-manno-hexopyranosyl-(1->6)-[α-D-manno-hexopyranosyl-(1->3)]-β-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-α-D-gluco-hexopyranose
  • Miscellaneous

    • Chemical Class:

      A mannooligosaccharide derivative that is alpha-D-mannopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->6)-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranose in which the hydroxy group at position 3 of the mannopyranosyl residue attached to the acetamidoglucose moiety has been glycosylated by an alpha-D-mannopyranosyl group. ChEBI CHEBI:146066

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1291.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 218.1±6.0 kJ/mol
Flash Point: 735.0±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 183.5±0.4 cm3
#H bond acceptors: 27
#H bond donors: 17
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -6.59
ACD/LogD (pH 5.5): -6.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 436 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 119.1±5.0 dyne/cm
Molar Volume: 485.1±5.0 cm3

Click to predict properties on the Chemicalize site


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