(2S)-2-Amino-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl]Oxy}Phenyl)Propanoic Acid

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Formula C15H21NO8
IUPAC Name (2s)-2-amino-3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]propanoic acid
Molecular Mass 343.329 g·mol−1
Heat of Formation -1389.9 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 394.76 Å 3
Surface Area 325.49 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
  • (2s)-2-amino-3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]propanoic acid
  • (2s)-2-amino-3-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]propionic acid
  • (2s)-2-amino-3-[4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]propanoic acid
  • beta-d-glucopyranosyl-o-l-tyrosine
  • l-tyrosine, o-beta-d-glucopyranosyl-
  • tyrosine glucoside
CAS Number(s)
  • 38292-17-0
InChIKey JZAFZYMRELRTKL-MYMCGMNMSA-N
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