N-(4-Carboxyphenyl)-β-D-Xylopyranosylamine

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Properties Simple | Detailed

Formula C12H15NO6
IUPAC Name 4-[[(2r,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]amino]benzoic acid
Molecular Mass 269.251 g·mol−1
Heat of Formation -1015.5 ± 16.7 kJ·mol−1
Dipole Moment 5.48 ± 1.08 D
Volume 301.48 Å 3
Surface Area 277.82 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(2r,3r,4s,5r)-3,4,5-trihydroxy-2-tetrahydropyranyl]amino]benzoic acid
  • 4-[[(2r,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid
  • 4-[[(2r,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]amino]benzoic acid
InChIKey HLDUHCYBUVVDOT-LMLFDSFASA-N
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