Tabtoxin

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Properties Simple | Detailed

Formula C11H19N3O6
IUPAC Name (2s,3r)-2-[[(2s)-2-amino-4-[(3s)-3-hydroxy-2-oxo-azetidin-3-yl]butanoyl]amino]-3-hydroxy-butanoic acid
Molecular Mass 289.285 g·mol−1
Heat of Formation -1069.0 ± 16.7 kJ·mol−1
Dipole Moment 4.59 ± 1.08 D
Volume 338.84 Å 3
Surface Area 308.72 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-2-[[(2s)-2-amino-4-[(3s)-3-hydroxy-2-keto-azetidin-3-yl]butanoyl]amino]-3-hydroxy-butyric acid
  • (2s,3r)-2-[[(2s)-2-amino-4-[(3s)-3-hydroxy-2-oxo-3-azetidinyl]-1-oxobutyl]amino]-3-hydroxybutanoic acid
  • (2s,3r)-2-[[(2s)-2-amino-4-[(3s)-3-hydroxy-2-oxo-azetidin-3-yl]butanoyl]amino]-3-hydroxy-butanoic acid
  • (2s,3r)-2-[[(2s)-2-amino-4-[(3s)-3-hydroxy-2-oxoazetidin-3-yl]butanoyl]amino]-3-hydroxybutanoic acid
  • l-threonine, n-((2s)-2-amino-4-((3s)-3-hydroxy-2-oxo-3-azetidinyl)-1-oxobutyl)-
CAS Number(s)
  • 40957-90-2
InChIKey BFSBNVPBVGFFCF-WDOVLDDZSA-N
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