3-O-{4-[(3S)-2-Acetyl-4-{[(1R,2E)-4-Amino-1-Carboxy-4-Oxo-2-Buten-1-Yl]Amino}-4-Hydroxy-1,2-Thiazetidin-3-Yl]-2-Butanyl}-2-Amino-2-Deoxy-α-D-Glucopyranose

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Formula C19H32N4O10S
IUPAC Name (e,2r)-2-[[(3s,4r)-2-acetyl-3-[(3s)-3-[(2s,3r,4r,5s,6r)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxybutyl]-4-hydroxy-thiazetidin-4-yl]amino]-5-amino-5-oxo-pent-3-enoic acid
Molecular Mass 508.543 g·mol−1
Heat of Formation -1786.1 ± 16.7 kJ·mol−1
Dipole Moment 10.18 ± 1.08 D
Volume 580.75 Å 3
Surface Area 465.71 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey ZBQHQSATUKWEDY-LJWAXXPWSA-N
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