(2-{[(2R)-2-Amino-2-Carboxyethyl]Sulfanyl}Ethyl)(Trihydroxy)Borate(1-)

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Properties Simple | Detailed

Formula C5H13BNO5S-
IUPAC Name 2-[(2r)-2-amino-3-hydroxy-3-oxopropyl]sulfanylethyl-trihydroxyboron
Molecular Mass 210.036 g·mol−1
Heat of Formation -167.8 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 204.24 Å 3
Surface Area 218.12 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2r)-2-amino-3-hydroxy-3-oxo-propyl]sulfanylethyl-trihydroxy-boron
  • 2-[(2r)-2-amino-3-hydroxy-3-oxopropyl]sulfanylethyl-trihydroxyboron
  • 2-[[(2r)-2-amino-3-hydroxy-3-keto-propyl]thio]ethyl-trihydroxy-boron
  • 2-[[(2r)-2-amino-3-hydroxy-3-oxopropyl]thio]ethyl-trihydroxyboron
  • s2c
InChIKey XLVRIIJULVQAMP-BYPYZUCNSA-N
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