ChemSpider 2D Image | alpha-D-Galactopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-glucose | C20H35NO16

α-D-Galactopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-glucose

  • Molecular FormulaC20H35NO16
  • Average mass545.489 Da
  • Monoisotopic mass545.195557 Da
  • ChemSpider ID170255

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

D-Glucose, O-α-D-galactopyranosyl-(1->4)-O-[β-D-galactopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
α-D-Galactopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-glucose [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-desoxy-D-glucose [German] [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2-acétamido-2-désoxy-D-glucose [French] [ACD/IUPAC Name]
77356-46-8 [RN]
Agnala
D-Glucose, O-α-D-galactopyranosyl-(1-3)-O-β-D-galactopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-
α-D-Galactose-(1-3)-N-acetyllactosamine
α-Galactose-(1-3)-N-acetyllactosamine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1031.6±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: -5.43
ACD/LogD (pH 5.5): -5.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.43
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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