ChemSpider 2D Image | 6-Sialyllactose | C23H39NO19

6-Sialyllactose

  • Molecular FormulaC23H39NO19
  • Average mass633.551 Da
  • Monoisotopic mass633.211609 Da
  • ChemSpider ID559069

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

6-Sialyllactose
(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->6)-β-D-galactopyranosyl-(1->4)-D-glucose [ACD/IUPAC Name]
(6R)-5-Acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->6)-β-D-galactopyranosyl-(1->;4)-D-glucose [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->6)-β-D-galactopyranosyl-(1->;4)-D-glucose [French] [ACD/IUPAC Name]
35890-39-2 [RN]
D-Glucose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->6)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
6'-α-Sialyllactose
O-(N-acetyl-α-neuraminosyl)-(2-3)-O-β-D-galactopyranosyl-(1-4)-D-Glucose
O-(N-acetyl-α-neuraminosyl)-(2-3)-O-β-δ-galactopyranosyl-(1-4)-δ-Glucose
(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-{[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-2-yl]methoxy}-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carbox
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]

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

Density: 1.7±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: 640.1±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -3.37
ACD/LogD (pH 5.5): -7.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 343 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 112.1±5.0 dyne/cm
Molar Volume: 366.7±5.0 cm3

Click to predict properties on the Chemicalize site


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