4,6-Dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-Trihydroxy-3-(Hydroxymethyl)-2-Cyclohexen-1-Yl]Amino}-α-D-Glucopyranosyl-(1->4)-α-D-Glucopyranosyl-(1->6)-Beta-D-Glucopyranose

Molecule SVG Image

Properties Simple | Detailed

Formula C25H43NO18
IUPAC Name (2r,3r,4s,5s,6r)-6-[[(2s,3r,4r,5s,6r)-5-[(2r,3r,4s,5s,6r)-3,4-dihydroxy-6-methyl-5-[[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
Molecular Mass 645.605 g·mol−1
Heat of Formation -3315.0 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 719.7 Å 3
Surface Area 561.72 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-6-[[(2s,3r,4r,5s,6r)-5-[(2r,3r,4s,5s,6r)-3,4-dihydroxy-6-methyl-5-[[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
  • (2r,3r,4s,5s,6r)-6-[[(2s,3r,4r,5s,6r)-5-[(2r,3r,4s,5s,6r)-3,4-dihydroxy-6-methyl-5-[[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
  • (2r,3r,4s,5s,6r)-6-[[(2s,3r,4r,5s,6r)-5-[(2r,3r,4s,5s,6r)-3,4-dihydroxy-6-methyl-5-[[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-methylol-1-cyclohex-2-enyl]amino]tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
  • (2r,3r,4s,5s,6r)-6-[[(2s,3r,4r,5s,6r)-5-[[(2r,3r,4s,5s,6r)-3,4-dihydroxy-6-methyl-5-[[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]-2-tetrahydropyranyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
  • 4,6-dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-d-lyxo-hexopyranosyl-(1->4)-alpha-d-threo-hexopyranosyl-(1->6)-alpha-l-threo-hexopyranose
  • iab
  • iso-acarbose
InChIKey FZLCJZILHGFQLM-PISLJJGOSA-N
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