N-(4-{[(3R)-1-Benzyl-2,5-Dioxo-3-Pyrrolidinyl]Sulfanyl}Butanimidoyl)-6-O-β-D-Xylopyranosyl-β-D-Glucopyranosylamine

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Properties Simple | Detailed

Formula C26H37N3O11S
IUPAC Name 4-[(3r)-1-benzyl-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]butanamidine
Molecular Mass 599.650 g·mol−1
Heat of Formation -1849.3 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 688.58 Å 3
Surface Area 581.57 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
InChIKey MKGCRBLJKRCKKQ-OGJWHHEUSA-N
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