2-[3-(4-Azidophenyl)Propanoyl]-3,5-Dihydroxyphenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C21H24N3O9
IUPAC Name 3-(4-azidophenyl)-1-[2,4-dihydroxy-6-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]propan-1-one
Molecular Mass 462.430 g·mol−1
Heat of Formation -1183.6 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 512.73 Å 3
Surface Area 387.33 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
InChIKey AXCDEMZKQHNYNE-OBJCFNGXSA-N
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