(N-Acetylneuraminosyl(Alpha2-6)Lactosamine)

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Formula C25H42N2O19
IUPAC Name (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3s,4s,5r,6s)-6-[(2r,3s,4r,5r,6r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4-hydroxy-6-[(1s,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 674.603 g·mol−1
Heat of Formation -3576.8 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 761.23 Å 3
Surface Area 540.02 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
InChIKey RPSBVJXBTXEJJG-RSGRREJPSA-N
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