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

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Properties Simple | Detailed

Formula C19H33NO13
IUPAC Name (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-6-(hydroxymethyl)tetrahydropyran-2,3,4-triol
Molecular Mass 483.464 g·mol−1
Heat of Formation -2436.4 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 542.85 Å 3
Surface Area 427.13 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 3.56 ± eV
Point Group Symmetry C1
Synonyms
  • (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-6-(hydroxymethyl)oxane-2,3,4-triol
  • (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-6-(hydroxymethyl)tetrahydropyran-2,3,4-triol
  • (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-6-methylol-tetrahydropyran-2,3,4-triol
  • (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]-6-(hydroxymethyl)tetrahydropyran-2,3,4-triol
  • 3sa
  • 4-o-(4,6-dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-d-lyxo-hexopyranosyl)-alpha-d-erythro-hexopyranose
  • acarbose derived trisaccharide
  • hmc-(1-4)agl-(1-4)glc
InChIKey SNMISNLUIRCRQE-SFSRYZOZSA-N
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