(2E)-3-{4-[(6-Deoxy-α-L-Xylo-Hexofuranosyl-5-Ulose)Oxy]-3-Hydroxyphenyl}-2-Methyl-N-[(3As,4R,5R,6S,7R,7Ar)-4,6,7-Trihydroxyhexahydro-1,3-Benzodioxol-5-Yl]Acrylamide

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Properties Simple | Detailed

Formula C23H29NO12
IUPAC Name 5-[(e)-3-[[(3as,4r,5r,6s,7r,7ar)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]amino]-2-methyl-3-oxo-prop-1-enyl]-2-[(2s,3s,4s,5r)-5-acetyl-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-benzene-3,4,6-triid-1-olate
Molecular Mass 511.476 g·mol−1
Heat of Formation -617.1 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 561.17 Å 3
Surface Area 468.68 Å 2
Point Group Symmetry C1
Synonyms
  • (e)-n-[(3as,4r,5r,6s,7r,7ar)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2s,3s,4s,5r)-5-acetyl-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-phenyl]-2-methyl-acrylamide
  • (e)-n-[(3as,4r,5r,6s,7r,7ar)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2s,3s,4s,5r)-5-acetyl-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-phenyl]-2-methyl-prop-2-enamide
  • (e)-n-[(3as,4r,5r,6s,7r,7ar)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2s,3s,4s,5r)-5-acetyl-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxyphenyl]-2-methylprop-2-enamide
  • (e)-n-[(3as,4r,5r,6s,7r,7ar)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2s,3s,4s,5r)-5-ethanoyl-3,4-dihydroxy-oxolan-2-yl]oxy-3-hydroxy-phenyl]-2-methyl-prop-2-enamide
  • (e)-n-[(3as,4r,5r,6s,7r,7ar)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[[(2s,3s,4s,5r)-5-acetyl-3,4-dihydroxy-2-tetrahydrofuranyl]oxy]-3-hydroxyphenyl]-2-methylprop-2-enamide
  • d-neo-inositol, 5-deoxy-5-((3-(4-((6-deoxy-alpha-l-xylo-hexofuranos-5-ulos-1-yl)oxy)-3-hydroxyphenyl)-2-methyl-1-oxo-2-propenyl)amino)-1,2-o-methylene-, (e)-
  • epihygromycin
CAS Number(s)
  • 75081-92-4
InChIKey YQYJSBFKSSDGFO-SQTRDLTCSA-N
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