4-(4-Azidobenzyl)-3,5-Dihydroxy-2-[3-(4-Hydroxyphenyl)Propanoyl]Phenyl α-D-Glucopyranoside

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Properties Simple | Detailed

Formula C28H29N3O10
IUPAC Name 1-[3-[(4-azidophenyl)methyl]-2,4-dihydroxy-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
Molecular Mass 567.544 g·mol−1
Heat of Formation -1300.8 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 636.83 Å 3
Surface Area 520.54 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-(4-azidobenzyl)-2,4-dihydroxy-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-[3-[(4-azidophenyl)methyl]-2,4-dihydroxy-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-[3-[(4-azidophenyl)methyl]-2,4-dihydroxy-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
  • 1-[3-[(4-azidophenyl)methyl]-2,4-dihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-3-(4-hydroxyphenyl)propan-1-one
InChIKey YNRPWRKJTWTRME-WZJDRPDSSA-N
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