4-{(1E)-5-[4-(β-L-Glucopyranosyloxy)-3-Hydroxyphenyl]-1-Penten-4-Yn-1-Yl}-2-Hydroxyphenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C29H34O14
IUPAC Name (2s,3r,4s,5s,6r)-2-[2-hydroxy-4-[(e)-5-[3-hydroxy-4-[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]pent-1-en-4-ynyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 606.572 g·mol−1
Heat of Formation -2074.5 ± 16.7 kJ·mol−1
Dipole Moment 6.93 ± 1.08 D
Volume 686.73 Å 3
Surface Area 590.93 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[2-hydroxy-4-[(e)-5-[3-hydroxy-4-[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]pent-1-en-4-ynyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[2-hydroxy-4-[(e)-5-[3-hydroxy-4-[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]pent-1-en-4-ynyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[2-hydroxy-4-[(e)-5-[3-hydroxy-4-[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]pent-1-en-4-ynyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[2-hydroxy-4-[(e)-5-[3-hydroxy-4-[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]pent-1-en-4-ynyl]phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[2-hydroxy-4-[(e)-5-[3-hydroxy-4-[[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]pent-1-en-4-ynyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • 1,5-bis(4'-glucopyranosyloxy-3'-hydroxyphenyl)pent-4-en-1-yne
  • beta-d-glucopyranoside, 1-penten-4-yne-1,5-diylbis(2-hydroxy-4,1-phenylene)bis-, (e)-
  • hypoxoside
CAS Number(s)
  • 83643-94-1
InChIKey NKCXUXCXXINIMN-DBMAEGAXSA-N
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