ChemSpider 2D Image | 2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[2-amino-2-deoxy-beta-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucose | C22H39N3O15

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-[2-amino-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucose

  • Molecular FormulaC22H39N3O15
  • Average mass585.556 Da
  • Monoisotopic mass585.238098 Da
  • ChemSpider ID170914

  • 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->3)-[2-amino-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-[2-amino-2-desoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-desoxy-D-glucose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-[2-amino-2-désoxy-β-D-glucopyranosyl-(1->4)]-2-acétamido-2-désoxy-D-glucose [French] [ACD/IUPAC Name]
D-Glucose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-[2-amino-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
138430-53-2 [RN]
2-Amino-2-deoxyglucopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranoside
Glcn-glcnac-glcnac (chito)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1067.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 176.9±6.0 kJ/mol
Flash Point: 599.2±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 130.3±0.4 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.41
ACD/LogD (pH 5.5): -5.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 300 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 90.0±5.0 dyne/cm
Molar Volume: 372.3±5.0 cm3

Click to predict properties on the Chemicalize site


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