N-[3-(1,3-Dimethyl-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Propyl]-7-(β-D-Galactopyranosyloxy)-2-Oxo-2H-Chromene-3-Carboxamide

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Properties Simple | Detailed

Formula C26H29N5O11
IUPAC Name n-[3-(1,3-dimethyl-2,6-dioxo-7h-purin-9-ium-5-id-8-yl)propyl]-2-oxo-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromene-3-carboxamide
Molecular Mass 587.535 g·mol−1
Heat of Formation -1716.8 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 636.73 Å 3
Surface Area 462.02 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 1.78 ± eV
Point Group Symmetry C1
InChIKey PSHIXQHKZSNFIT-LBRQCZJCSA-N
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