(6R)-5-Acetamido-3,5-Dideoxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-β-L-Threo-Hex-2-Ulopyranonosyl-(2->3)-6-O-Sulfo-β-D-Galactopyranosyl-(1->4)-D-Glucopyranose

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Formula C23H39NO22S
IUPAC Name (2s,4s,5r,6r)-5-acetamido-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(sulfooxymethyl)-6-[(2r,3r,4s,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1s,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Molecular Mass 713.614 g·mol−1
Heat of Formation -3689.6 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 736.73 Å 3
Surface Area 563.6 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
InChIKey DGUVEDGWGJXFCX-ANUWADLXSA-N
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