(2S)-3-(3,4-Dihydroxyphenyl)-2-({[(2R,3S,4R,5R)-2,3,4,5-Tetrahydroxytetrahydro-2H-Pyran-2-Yl]Methyl}Amino)Propanoic Acid

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Properties Simple | Detailed

Formula C15H21NO9
IUPAC Name (2s)-3-(3,4-dihydroxyphenyl)-2-[[(2r,3s,4r,5r)-2,3,4,5-tetrahydroxytetrahydropyran-2-yl]methylamino]propanoic acid
Molecular Mass 359.329 g·mol−1
Heat of Formation -1611.2 ± 16.7 kJ·mol−1
Dipole Moment 5.83 ± 1.08 D
Volume 398.42 Å 3
Surface Area 338.94 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-(3,4-dihydroxyphenyl)-2-[[(2r,3s,4r,5r)-2,3,4,5-tetrahydroxy-2-tetrahydropyranyl]methylamino]propanoic acid
  • (2s)-3-(3,4-dihydroxyphenyl)-2-[[(2r,3s,4r,5r)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid
  • (2s)-3-(3,4-dihydroxyphenyl)-2-[[(2r,3s,4r,5r)-2,3,4,5-tetrahydroxytetrahydropyran-2-yl]methylamino]propanoic acid
  • (2s)-3-(3,4-dihydroxyphenyl)-2-[[(2r,3s,4r,5r)-2,3,4,5-tetrahydroxytetrahydropyran-2-yl]methylamino]propionic acid
  • beta-d-fructopyranose, 1-((1-carboxy-2-(3,4-dihydroxyphenyl)ethyl)amino)-1-deoxy-, (s)-
  • deoxyfructose l-dopa
  • desoxyfructo-l-dopa
CAS Number(s)
  • 81619-12-7
InChIKey CMJMNLLULOWDQJ-KJXAWDOSSA-N
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