ChemSpider 2D Image | 2-Acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucop yranosyl-(1->3)-beta-D-galactopyranosyl-(1->3)-D-glucopyranose | C46H78N2O34

2-Acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-[6-deoxy-α-L-galactopyranosyl-(1->2)]-β-D-galactopyranosyl-(1->3)-[6-deoxy-α-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucop yranosyl-(1->3)-β-D-galactopyranosyl-(1->3)-D-glucopyranose

  • Molecular FormulaC46H78N2O34
  • Average mass1203.104 Da
  • Monoisotopic mass1202.443604 Da
  • ChemSpider ID35518906

  • defined stereocentres - 34 of 35 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-[6-deoxy-α-L-galactopyranosyl-(1->2)]-β-D-galactopyranosyl-(1->3)-[6-deoxy-α-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucop yranosyl-(1->3)-β-D-galactopyranosyl-(1->3)-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-α-D-galactopyranosyl-(1->3)-[6-desoxy-α-L-galactopyranosyl-(1->2)]-β-D-galactopyranosyl-(1->3)-[6-desoxy-α-D-galactopyranosyl-(1->4)]-2-acetamido-2-desoxy-β-D-gl ucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->3)-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-D-galactopyranosyl-(1->3)-[6-désoxy-α-L-galactopyranosyl-(1->2)]-β-D-galactopyranosyl-(1->3)-[6-désoxy-α-D-galactopyranosyl-(1->4)]-2-acétamido-2-désoxy-β-D-gl ucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->3)-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->3)-O-[6-deoxy-α-L-galactopyranosyl-(1->2)]-O-β-D-galactopyranosyl-(1->3)-O-[6-deoxy-α-D-galactopyranosyl-(1->4)]-O-2- (acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->3)- [ACD/Index Name]
76472-96-3 [RN]
A-Heptasaccharide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1469.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 253.2±6.0 kJ/mol
Flash Point: 842.4±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 259.3±0.4 cm3
#H bond acceptors: 36
#H bond donors: 21
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -4.04
ACD/LogD (pH 5.5): -5.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 563 Å2
Polarizability: 102.8±0.5 10-24cm3
Surface Tension: 109.8±5.0 dyne/cm
Molar Volume: 695.1±5.0 cm3

Click to predict properties on the Chemicalize site


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