ChemSpider 2D Image | GlcNAcMan3GlcNAc2-I | C42H71N3O31

GlcNAcMan3GlcNAc2-I

  • Molecular FormulaC42H71N3O31
  • Average mass1114.015 Da
  • Monoisotopic mass1113.407104 Da
  • ChemSpider ID24606125

  • defined stereocentres - 30 of 30 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->6)-[α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido -2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-2-acetami do-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-2-acétami do-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
2-Deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-deoxy-2-[(E)-(1-hydroxyethylidene)a mino]-β-D-glucopyranosyl-(1->4)-2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucopyranose [ACD/IUPAC Name]
2-Desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-desoxy-2-[(E)-(1-hydroxyethyliden)a mino]-β-D-glucopyranosyl-(1->4)-2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-désoxy-2-[(E)-(1-hydroxyéthylidène )amino]-β-D-glucopyranosyl-(1->4)-2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranose [French] [ACD/IUPAC Name]
GlcNAcMan3GlcNAc2-I
β-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-O-α-D-mannopyranosyl-(1->6)-O-[α-D-mannopyranosyl-(1->;3)]-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-Glucopyranose, O-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-glucopyranosyl-(1->2)-O-α-D-mannopyranosyl-(1->6)-O-[α-D-mannopyranosyl-(1->3)]-O-β-D-mannopyranosyl-(1->4)-O-2-de oxy-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-glucopyranosyl-(1->4)-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]- [ACD/Index Name]
GlcNAc-β-1-2Man-α-1-6(Man-α-1-3)Man-β-1-4GlcNAc-β-1-4GlcNAc

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1442.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 247.8±6.0 kJ/mol
Flash Point: 826.3±37.1 °C
Index of Refraction: 1.719
Molar Refractivity: 221.8±0.5 cm3
#H bond acceptors: 34
#H bond donors: 20
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -2.24
ACD/LogD (pH 5.5): -4.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 543 Å2
Polarizability: 87.9±0.5 10-24cm3
Surface Tension: 85.2±7.0 dyne/cm
Molar Volume: 562.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement