ChemSpider 2D Image | 2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4 )-2-acetamido-2-deoxy-alpha-D-glucopyranose | C46H78N2O36

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

  • Molecular FormulaC46H78N2O36
  • Average mass1235.103 Da
  • Monoisotopic mass1234.433472 Da
  • ChemSpider ID26325744

  • defined stereocentres - 35 of 35 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4 )-2-acetamido-2-deoxy-α-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1-> 4)-2-acetamido-2-desoxy-α-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1-> 4)-2-acétamido-2-désoxy-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-O-α-D-mannopyranosyl-(1->3)-O-[O-α-D-mannopyranosyl-(1->3)-O-[α-D-mannopyranosyl-(1->6)]-α-D-mannopyranosy
 l-(1->6)]-O-β-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
2-(Acetylamino)-2-Deoxy-β-D-Glucopyranosyl-(1->2)-α-D-Mannopyranosyl-(1->3)-[α-D-Mannopyranosyl-(1->3)-[α-D-Mannopyranosyl-(1->6)]-α-D-Mannopyranosyl-(1->6)]-β-D-Mannopyranosyl-(1->4)-2-(Acetylamino)-2-Deoxy-α-D-Glucopyranose
M5G

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1579.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 275.9±6.0 kJ/mol
Flash Point: 908.8±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 262.4±0.4 cm3
#H bond acceptors: 38
#H bond donors: 23
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: -6.66
ACD/LogD (pH 5.5): -7.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 603 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 120.6±5.0 dyne/cm
Molar Volume: 689.2±5.0 cm3

Click to predict properties on the Chemicalize site


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