ChemSpider 2D Image | 6-Sialyl-N-acetyllactosamine | C25H42N2O19

6-Sialyl-N-acetyllactosamine

  • Molecular FormulaC25H42N2O19
  • Average mass674.603 Da
  • Monoisotopic mass674.238159 Da
  • ChemSpider ID17216384

  • defined stereocentres - 15 of 16 defined stereocentres

More details:

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

6-Sialyl-N-acetyllactosamine
(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-α-L-threo-hex-2-ulopyranonosyl-(2->6)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose [ACD/IUPAC Name]
(6R)-5-Acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-α-L-threo-hex-2-ulopyranonosyl-(2->6)-β-D-galactopyranosyl-(1->;4)-2-acetamido-2-desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-α-L-thréo-hex-2-ulopyranonosyl-(2->6)-β-D-galactopyranosyl-(1->;4)-2-acétamido-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
78969-47-8 [RN]
D-Glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-β-D-galacto-2-nonulopyranonosyl-(2->;6)-O-β-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
MFCD03095513
NeuAc α,6Gal β1,4GIcNAc
62-α-N-Acetylneuraminyl-N-acetyllactosamine
(2S,4S,5R,6R)-5-ACETAMIDO-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R)-5-ACETAMIDO-4,6-DIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXY-3,4,5-TRIHYDROXYOXAN-2-YL]METHOXY]-4-HYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

37966_FLUKA [DBID]
  • Miscellaneous

    • Chemical Class:

      A linear amino trisaccharide consisting of sialyl, beta-D-galactosyl and (at the reducing end) N-acetyl-D-glucosamine residues linked in sequence (1->6) and (1->4). ChEBI CHEBI:153787

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1192.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 199.5±6.0 kJ/mol
Flash Point: 675.0±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: -2.86
ACD/LogD (pH 5.5): -7.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.48
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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