2-{[(Z)-{1-(2-Amino-1,3-Thiazol-4-Yl)-2-[(2,2-Dihydroxyethyl)Amino]-2-Oxoethylidene}Amino]Oxy}-2-Methylpropanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C11H16N4O6S
IUPAC Name 2-[(z)-[1-(2-aminothiazol-4-yl)-2-(2,2-dihydroxyethylamino)-2-oxo-ethylidene]amino]oxy-2-methyl-propanoic acid
Molecular Mass 332.333 g·mol−1
Heat of Formation -840.8 ± 16.7 kJ·mol−1
Dipole Moment 6.56 ± 1.08 D
Volume 367.46 Å 3
Surface Area 316.68 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2-amino-4-thiazolyl)][(1-carboxy-1-methylethoxy)imino]acetylamino]-1-
  • 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-(2,2-dihydroxyethylamino)-2-oxo-ethylidene]amino]oxy-2-methyl-propanoic acid
  • 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-(2,2-dihydroxyethylamino)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
  • 2-[[1-(2-amino-4-thiazolyl)-2-(2,2-dihydroxyethylamino)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
  • 2-[[1-(2-aminothiazol-4-yl)-2-(2,2-dihydroxyethylamino)-2-keto-ethylidene]amino]oxy-2-methyl-propionic acid
  • 2-[[1-(2-aminothiazol-4-yl)-2-(2,2-dihydroxyethylamino)-2-oxo-ethylidene]amino]oxy-2-methyl-propanoic acid
  • hp 0.35
  • hp-0.35
  • propanoic acid, 2-(((1-(2-amino-4-thiazolyl)-2-((2,2-dihydroxyethyl)amino)-2-oxoethylidene)amino)oxy)-2-methyl-
  • propanoic acid, 2-[[[1-(2-amino-4-thiazolyl)-2-[(2,2-dihydroxyethyl)amino]-2-oxoethylidene]amino]oxy]-2-methyl-2-[[(2-amino-4-thiazolyl)][(1-carboxy-1-methylethoxy)imino]acetylamino]-1-
CAS Number(s)
  • 136831-56-6
InChIKey FHGGSJJCFHHZEZ-CHHVJCJISA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N