(3R,4R,5R)-3-Hydroxy-5-(Hydroxymethyl)-4-Piperidinyl β-D-Glucopyranosyl-(1->4)-β-D-Glucopyranosyl-(1->4)-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C24H43NO18
IUPAC Name (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-6-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-[[(3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)-4-piperidyl]oxy]-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 633.594 g·mol−1
Heat of Formation -3329.2 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 698.56 Å 3
Surface Area 548.07 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 3.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-6-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-[(3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-6-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-[[(3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)-4-piperidyl]oxy]-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-6-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-[[(3r,4r,5r)-3-hydroxy-5-methylol-4-piperidyl]oxy]-2-methylol-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(2r,3s,4r,5r,6s)-6-[[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-[[(3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)-4-piperidinyl]oxy]-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
InChIKey WWLNURYAWFMUKB-QPKZCLDCSA-N
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