ChemSpider 2D Image | 3-Sialyllactose | C23H39NO19

3-Sialyllactose

  • Molecular FormulaC23H39NO19
  • Average mass633.551 Da
  • Monoisotopic mass633.211609 Da
  • ChemSpider ID110445

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

3-Sialyllactose
(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-glucose [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-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->3)-β-D-galactopyranosyl-(1->;4)-D-glucose [French] [ACD/IUPAC Name]
35890-38-1 [RN]
3J7TAL60G3
3'-Sialyllactose
D-Glucose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
Sialyllactose
3'-(N-Acetyl-α-neuraminosyl)lactose
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

75357 [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: 1132.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 188.6±6.0 kJ/mol
    Flash Point: 638.9±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: -3.13
    ACD/LogD (pH 5.5): -7.25
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -7.64
    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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