4-Nitrophenyl β-D-Glucopyranosyl-(1->4)-β-D-Glucopyranosyl-(1->4)-β-D-Glucopyranoside

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Formula C24H35NO18
IUPAC Name (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-6-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 625.531 g·mol−1
Heat of Formation -2865.3 ± 16.7 kJ·mol−1
Dipole Moment 12.62 ± 1.08 D
Volume 672.61 Å 3
Surface Area 543.66 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey BETIRLUWOMCBBJ-ZENQEEDISA-N
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