ChemSpider 2D Image | 3-Sialyl Lewis A | C31H52N2O23

3-Sialyl Lewis A

  • Molecular FormulaC31H52N2O23
  • Average mass820.744 Da
  • Monoisotopic mass820.296082 Da
  • ChemSpider ID44205652

  • defined stereocentres - 19 of 21 defined stereocentres

More details:

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

3-Sialyl Lewis A
5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->3)-[6-deoxy-β-L-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucop ;yranose [ACD/IUPAC Name]
5-Acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->3)-[6-desoxy-β-L-galactopyranosyl-(1->4)]-2-acetamido-2-desoxy-D-glu ;copyranose [German] [ACD/IUPAC Name]
5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->3)-[6-désoxy-β-L-galactopyranosyl-(1->4)]-2-acétamido-2-désoxy-D-glu ;copyranose [French] [ACD/IUPAC Name]
92448-22-1 [RN]
D-Glucopyranose, O(6ξ)-5-(acetylamino)-3,5-dideoxy-α-D-gluco-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->3)-O-[6-deoxy-β-L-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
3???-Sialyl-Lewis-a tetrasaccharide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1279.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 215.8±6.0 kJ/mol
Flash Point: 727.7±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 176.8±0.4 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -2.07
ACD/LogD (pH 5.5): -6.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 403 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 104.9±5.0 dyne/cm
Molar Volume: 482.9±5.0 cm3

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