Lacto-N-Triaose

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Properties Simple | Detailed

Formula C20H35NO16
IUPAC Name n-[(2s,3r,4r,5s,6r)-5-hydroxy-6-(hydroxymethyl)-2-[(2s,3r,4s,5s,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
Molecular Mass 545.489 g·mol−1
Heat of Formation -3024.7 ± 16.7 kJ·mol−1
Dipole Moment 6.81 ± 1.08 D
Volume 594.63 Å 3
Surface Area 471.65 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry C1
Synonyms
  • lacto-n-triose i
  • n-[(2s,3r,4r,5s,6r)-5-hydroxy-6-(hydroxymethyl)-2-[(2s,3r,4s,5s,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-5-hydroxy-6-(hydroxymethyl)-2-[[(2s,3r,4s,5s,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl]oxy]-4-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]acetamide
CAS Number(s)
  • 64317-83-5
InChIKey CJOPBLPCFAQCNO-NJGGIFKPSA-N
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