3-[(2R)-2-Acetamido-2-(Dihydroxyboryl)Ethyl]-2-Hydroxybenzoic Acid

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Properties Simple | Detailed

Formula C11H14BNO6
IUPAC Name 3-[(2r)-2-acetamido-2-borono-ethyl]-2-hydroxy-benzoic acid
Molecular Mass 267.043 g·mol−1
Heat of Formation -1368.6 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 303.31 Å 3
Surface Area 273.37 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • 1(r)-1-acetamido-2-(3-carboxy-2-hydroxyphenyl)ethyl boronic acid
  • 3-[(2r)-2-acetamido-2-(dihydroxyboranyl)ethyl]-2-hydroxy-benzoic acid
  • 3-[(2r)-2-acetamido-2-borono-ethyl]-2-hydroxy-benzoic acid
  • 3-[(2r)-2-acetamido-2-boronoethyl]-2-hydroxybenzoic acid
  • bjh
InChIKey MSRKDROGGGBNIX-VIFPVBQESA-N
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