({[(2Z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(Methoxyimino)Acetyl]Amino}Methyl)Boronic Acid

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Properties Simple | Detailed

Formula C7H11BN4O4S
IUPAC Name [[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]methylboronic acid
Molecular Mass 258.063 g·mol−1
Heat of Formation -656.6 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 280.94 Å 3
Surface Area 264.38 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • [(2-amino-alpha-methoxyimino-4-thiazolylacetyl)amino]methylboronic acid
  • [[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]methylboronic acid
  • [[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]methylboronic acid
  • [[(2z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]methylboronic acid
  • [[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]methylboronic acid
  • cxb
InChIKey FMYGJTQJYFMFCR-XGICHPGQSA-N
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