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->4)-α-D-Glucopyranose

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Properties Simple | Detailed

Formula C25H43NO18
IUPAC Name 6-[[(1r)-1-formylallyl]amino]-2,3-dioxo-4-(oxomethylene)hexa-4,5-dienal; methanone; (2s,4r,5s)-6-oxo-5-[(1r)-2-oxo-1-[(4,5,6-trioxo-2h-pyran-2-ylium-3-yl)oxy]ethoxy]-1,3-dioxane-2,4-dicarbaldehyde
Molecular Mass 645.605 g·mol−1
Heat of Formation -3366.5 ± 16.7 kJ·mol−1
Dipole Moment 1.14 ± 1.08 D
Volume 715.17 Å 3
Surface Area 537.74 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5s,6r)-5-[(2r,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]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
  • (2s,3r,4r,5s,6r)-5-[(2r,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]oxy-6-(hydroxymethyl)tetrahydropyran-2,3,4-triol
  • (2s,3r,4r,5s,6r)-5-[(2r,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]oxy-6-methylol-tetrahydropyran-2,3,4-triol
  • (2s,3r,4r,5s,6r)-5-[[(2r,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]oxy]-6-(hydroxymethyl)tetrahydropyran-2,3,4-triol
  • 1,4-deoxy-4-((5-hydroxymethyl-2,3,4-trihydroxycyclohex-5,6-enyl)amino)fructose
  • acr
InChIKey XUFXOAAUWZOOIT-WVJZLWNXSA-N
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