ChemSpider 2D Image | (5xi,6R)-5-Acetamido-3,5-dideoxy-6-[(2R)-1,2,3-trihydroxypropyl]-beta-D-glycero-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose | C25H42N2O19

(5ξ,6R)-5-Acetamido-3,5-dideoxy-6-[(2R)-1,2,3-trihydroxypropyl]-β-D-glycero-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose

  • Molecular FormulaC25H42N2O19
  • Average mass674.603 Da
  • Monoisotopic mass674.238159 Da
  • ChemSpider ID57530535

  • defined stereocentres - 14 of 16 defined stereocentres

More details:

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

(5ξ,6R)-5-Acetamido-3,5-dideoxy-6-[(2R)-1,2,3-trihydroxypropyl]-β-D-glycero-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose [ACD/IUPAC Name]
(5ξ,6R)-5-Acetamido-3,5-didesoxy-6-[(2R)-1,2,3-trihydroxypropyl]-β-D-glycero-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
(5ξ,6R)-5-Acétamido-3,5-didésoxy-6-[(2R)-1,2,3-trihydroxypropyl]-β-D-glycéro-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, O(5ξ)-5-(acetylamino)-3,5-dideoxy-β-D-xylo-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
(2R,4S,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
210418-18-1 [RN]
3�?β-Sialyl-N-acetyllactosamine
PUBCHEM_71752161

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: -2.62
ACD/LogD (pH 5.5): -6.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.18
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

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