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

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Properties Simple | Detailed

Formula C18H33NO13
IUPAC Name (2s,3r,4s,5s,6r)-2-[(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-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 471.454 g·mol−1
Heat of Formation -2437.7 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 524.63 Å 3
Surface Area 421.36 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[(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-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(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-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(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-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-[[(3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)-4-piperidinyl]oxy]-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
InChIKey ZIMIYDWQNDRGNF-IONZOCAKSA-N
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