3-Deoxy-3-[(3-Methoxybenzoyl)Amino]-β-D-Galactopyranosyl 3-Deoxy-3-[(3-Methoxybenzoyl)Amino]-2-O-Sulfo-1-Thio-β-D-Galactopyranoside

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Formula C28H36N2O15S2
IUPAC Name [(2s,3r,4s,5r,6r)-2-[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3-methoxybenzoyl)amino]tetrahydropyran-2-yl]sulfanyl-5-hydroxy-6-(hydroxymethyl)-4-[(3-methoxybenzoyl)amino]tetrahydropyran-3-yl] hydrogen sulfate
Molecular Mass 704.720 g·mol−1
Heat of Formation -2442.8 ± 16.7 kJ·mol−1
Dipole Moment 8.78 ± 1.08 D
Volume 764.24 Å 3
Surface Area 621.48 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey CNUFQRWWCPUUQG-CWKIZLMASA-N
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