ChemSpider 2D Image | a-Trisaccharide | C20H35NO15

a-Trisaccharide

  • Molecular FormulaC20H35NO15
  • Average mass529.490 Da
  • Monoisotopic mass529.200684 Da
  • ChemSpider ID32700652

  • defined stereocentres - 14 of 14 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)]-D-galactose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-α-D-galactopyranosyl-(1->3)-[6-desoxy-α-L-galactopyranosyl-(1->2)]-D-galactose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-D-galactopyranosyl-(1->3)-[6-désoxy-α-L-galactopyranosyl-(1->2)]-D-galactose [French] [ACD/IUPAC Name]
49777-13-1 [RN]
a-Trisaccharide
D-Galactose, O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->3)-O-[6-deoxy-α-L-galactopyranosyl-(1->2)]- [ACD/Index Name]
Blood group A antigen triaose

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

P104QT2V1B [DBID]
UNII:P104QT2V1B [DBID]
UNII-P104QT2V1B [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 977.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.4±6.0 kJ/mol
Flash Point: 544.8±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 115.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.89
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.89
Polar Surface Area: 265 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 91.7±5.0 dyne/cm
Molar Volume: 329.8±5.0 cm3

Click to predict properties on the Chemicalize site


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