ChemSpider 2D Image | 5-Acetamido-3,5-dideoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->4)-N-acetylhexopyranosylamine | C25H42N2O19

5-Acetamido-3,5-dideoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->4)-N-acetylhexopyranosylamine

  • Molecular FormulaC25H42N2O19
  • Average mass674.603 Da
  • Monoisotopic mass674.238159 Da
  • ChemSpider ID2700671

More details:

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

5-Acetamido-3,5-dideoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->4)-N-acetylhexopyranosylamine [ACD/IUPAC Name]
5-Acetamido-3,5-didesoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->4)-N-acetylhexopyranosylamin [German] [ACD/IUPAC Name]
5-Acétamido-3,5-didésoxy-6-(1,2,3-trihydroxypropyl)hex-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->4)-N-acétylhexopyranosylamine [French] [ACD/IUPAC Name]
Hexopyranosylamine, O-5-(acetylamino)-3,5-dideoxy-2-nonulopyranonosyl-(2->3)-O-hexopyranosyl-(1->4)-N-acetyl- [ACD/Index Name]
3'-Sialyl-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: 1190.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 199.1±6.0 kJ/mol
Flash Point: 673.8±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.77
ACD/LogD (pH 5.5): -6.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 344 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 105.1±5.0 dyne/cm
Molar Volume: 396.6±5.0 cm3

Click to predict properties on the Chemicalize site


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