ChemSpider 2D Image | beta-D-Mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose | C22H38N2O16

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

  • Molecular FormulaC22H38N2O16
  • Average mass586.541 Da
  • Monoisotopic mass586.222107 Da
  • ChemSpider ID9299896

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

D-Glucopyranose, O-β-D-mannopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
β-D-Mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose [ACD/IUPAC Name]
β-D-Mannopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
β-D-Mannopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-2-acétamido-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
&β;-1,4-D-mannopyranosyl-&β;-1,4-N-acetyl-D-glucosaminyl-&β;-1,4-N-acetyl-D-glucosamine
&β;-1,4-D-mannosyl-<i>N,N'&lt;/i>-diacetylchitobiose
1,4-β-D-mannosyl-N,N'-diacetylchitobiose
ManGlcNAc2
missing
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,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=2.0/3,3,2/[a2122h-1x1-52*NCC/3=O][a2122h-1b1-52*NCC/3=O][a1122h-1b1-5]/1-2-3/a4-b1b4-c1
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  • Miscellaneous

    • Chemical Class:

      An amino trisaccharide consisting of beta-D-mannopyranosyl, 2-acetamido-beta-D-glucopyranosyl and 2-acetamido-D-glucopyranosyl residues joined sequentially by (1->4) glycosidic linkages. ChEBI CHEBI:145886

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1061.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 176.0±6.0 kJ/mol
Flash Point: 595.9±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.74
ACD/LogD (pH 5.5): -4.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 94.9±5.0 dyne/cm
Molar Volume: 356.9±5.0 cm3

Click to predict properties on the Chemicalize site


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