ChemSpider 2D Image | 2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-[beta-D-galactopyranosyl-(1->3)]-D-mannose | C20H35NO16

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-[β-D-galactopyranosyl-(1->3)]-D-mannose

  • Molecular FormulaC20H35NO16
  • Average mass545.489 Da
  • Monoisotopic mass545.195557 Da
  • ChemSpider ID4956713

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-[β-D-galactopyranosyl-(1->3)]-D-mannose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-[β-D-galactopyranosyl-(1->3)]-D-mannose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-[β-D-galactopyranosyl-(1->3)]-D-mannose [French] [ACD/IUPAC Name]
D-Mannose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-O-[β-D-galactopyranosyl-(1->3)]- [ACD/Index Name]
62398-02-1 [RN]
D-Mannose, O-β-D-galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1-2)-
Gal-1-4-glcnac-1-2-man
Galactopyranosyl-1-4-N-acetylglucosaminyl-1-2-mannopyranose

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1031.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 170.7±6.0 kJ/mol
Flash Point: 577.7±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 116.7±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.34
ACD/LogD (pH 5.5): -4.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 285 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 101.3±5.0 dyne/cm
Molar Volume: 327.0±5.0 cm3

Click to predict properties on the Chemicalize site


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