(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-Pentahydroxycyclohexyl 2-{[(2R)-2-Ammonio-3-Sulfanylpropanoyl]Amino}-2-Deoxy-α-D-Glucopyranoside

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Formula C15H28N2O11S
IUPAC Name (2r)-2-amino-n-[(2r,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexoxy]tetrahydropyran-3-yl]-3-sulfanyl-propanamide
Molecular Mass 444.455 g·mol−1
Heat of Formation -2141.5 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 485.25 Å 3
Surface Area 365.37 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey ZGXSCMBZZVXWGF-LIVBZIRGSA-N
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