(1R,2R,3S,4S,6R)-2,3-Dihydroxy-6-(Hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-Trihydroxy-3-(Hydroxymethyl)-2-Cyclohexen-1-Yl]Amino}Cyclohexyl β-D-Glucopyranoside

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Formula C20H35NO13
IUPAC Name (2r,3r,4s,5s,6r)-2-[(1r,2r,3s,4s,6r)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 497.491 g·mol−1
Heat of Formation -2444.9 ± 16.7 kJ·mol−1
Dipole Moment 0.81 ± 1.08 D
Volume 565.33 Å 3
Surface Area 450.33 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-2-[(1r,2r,3s,4s,6r)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(1r,2r,3s,4s,6r)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[(1r,2r,3s,4s,6r)-2,3-dihydroxy-6-methylol-4-[[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-methylol-1-cyclohex-2-enyl]amino]cyclohexoxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • validacin
  • validamycin
  • validamycin a
  • valimon
CAS Number(s)
  • 37248-47-8
InChIKey JARYYMUOCXVXNK-CSLFJTBJSA-N
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