ChemSpider 2D Image | beta-D-Glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-glucopyranose | C28H44N2O23

β-D-Glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-α-D-glucopyranose

  • Molecular FormulaC28H44N2O23
  • Average mass776.649 Da
  • Monoisotopic mass776.233459 Da
  • ChemSpider ID4450570

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

α-D-Glucopyranose, O-β-D-glucopyranuronosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-O-β-D-glucopyranuronosyl-(1->3)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
β-D-Glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-α-D-glucopyranose [ACD/IUPAC Name]
β-D-Glucopyranuronosyl-(1->3)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->3)-2-acetamido-2-desoxy-α-D-glucopyranose [German] [ACD/IUPAC Name]
β-D-Glucopyranuronosyl-(1->3)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->3)-2-acétamido-2-désoxy-α-D-glucopyranose [French] [ACD/IUPAC Name]
GCU-(1-3)NAG-(1-4)GCU-(1-3)NAG-(1-4)GCU

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1274.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 214.8±6.0 kJ/mol
Flash Point: 724.5±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 161.5±0.4 cm3
#H bond acceptors: 25
#H bond donors: 14
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -6.62
ACD/LogD (pH 5.5): -11.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 400 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 113.5±5.0 dyne/cm
Molar Volume: 434.0±5.0 cm3

Click to predict properties on the Chemicalize site


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