ChemSpider 2D Image | 3'-Sialyllactose | C23H39NO19

3'-Sialyllactose

  • Molecular FormulaC23H39NO19
  • Average mass633.551 Da
  • Monoisotopic mass633.211609 Da
  • ChemSpider ID8139339

  • defined stereocentres - 15 of 16 defined stereocentres

More details:

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

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-D-glucopyranose [ACD/IUPAC Name]
(6R)-5-Acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->;4)-D-glucopyranose [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->;4)-D-glucopyranose [French] [ACD/IUPAC Name]
3'-Sialyllactose
D-Glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->;3)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
35890-38-1 [RN]
3'-SL
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2->3)-β-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
missing
NeuAc(a2-3)Gal(b1-4)Glc
More...
  • Miscellaneous

    • Chemical Class:

      An amino trisaccharide that comprises of a linear sequence of alpha-N-acetylneuraminyl, beta-D-galactosyl and D-glucose residues linked (2->3) and (1->4). It is found in human milk. ChEBI CHEBI:151472

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1134.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 189.0±6.0 kJ/mol
Flash Point: 640.2±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 133.1±0.4 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.81
ACD/LogD (pH 5.5): -6.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 335 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 115.9±5.0 dyne/cm
Molar Volume: 357.6±5.0 cm3

Click to predict properties on the Chemicalize site


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