ChemSpider 2D Image | 2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)-(2xi)-beta-D-lyxo-hexopyranosyl-(1->4)-D-glucopyranose | C20H35NO16

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->6)-(2ξ)-β-D-lyxo-hexopyranosyl-(1->4)-D-glucopyranose

  • Molecular FormulaC20H35NO16
  • Average mass545.489 Da
  • Monoisotopic mass545.195557 Da
  • ChemSpider ID28475181
  • defined stereocentres - 13 of 15 defined stereocentres


More details:






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

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->6)-(2ξ)-β-D-lyxo-hexopyranosyl-(1->4)-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->6)-(2ξ)-β-D-lyxo-hexopyranosyl-(1->4)-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->6)-(2ξ)-β-D-lyxo-hexopyranosyl-(1->4)-D-glucopyranose [French] [ACD/IUPAC Name]
68665-69-0 [RN]
D-Glucopyranose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->6)-O(2ξ)-β-D-lyxo-hexopyranosyl-(1->4)- [ACD/Index Name]
4-O-(6-O-[2-Acetamido-2-deoxy-b-D-glucopyranosyl]-b-D-galactopyranosyl)-D-glucopyranose
6'-N-ACETYLGLUCOSAMINYLLACTOSE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 948.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.6±6.0 kJ/mol
Flash Point: 527.5±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 116.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.82
ACD/LogD (pH 5.5): -3.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 278 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 105.0±5.0 dyne/cm
Molar Volume: 317.8±5.0 cm3

Click to predict properties on the Chemicalize site






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