6-[(2S)-3-{[{[(1S,2R)-1-Amino-1-Carboxy-2-Propanyl]Oxy}(Hydroxy)Phosphoryl]Oxy}-2-Hydroxypropoxy]Hexanoic Acid

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Properties Simple | Detailed

Formula C13H26NO10P
IUPAC Name 6-[(2s)-3-[[(1r,2s)-2-amino-2-carboxy-1-methyl-ethoxy]-hydroxy-phosphoryl]oxy-2-hydroxy-propoxy]hexanoic acid
Molecular Mass 387.320 g·mol−1
Heat of Formation -2304.3 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 441.23 Å 3
Surface Area 340.56 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 1-o-(5'-carboxypentyl)glycero-3-phosphothreonine
  • 6-[(2s)-3-[[(1r,2s)-2-amino-3-hydroxy-1-methyl-3-oxo-propoxy]-hydroxy-phosphoryl]oxy-2-hydroxy-propoxy]hexanoic acid
  • 6-[(2s)-3-[[(1r,2s)-2-amino-3-hydroxy-1-methyl-3-oxopropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]hexanoic acid
  • 6-[(2s)-3-[[(1r,2s)-2-amino-3-hydroxy-3-keto-1-methyl-propoxy]-hydroxy-phosphoryl]oxy-2-hydroxy-propoxy]hexanoic acid
  • 6-[(2s)-3-[[(2r,3s)-3-amino-4-hydroxy-4-oxo-butan-2-yl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-propoxy]hexanoic acid
  • 6-[(2s)-3-[[(2r,3s)-3-amino-4-hydroxy-4-oxobutan-2-yl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropoxy]hexanoic acid
  • h-gpt-1
CAS Number(s)
  • 158059-97-3
InChIKey CYVCRELICGRMTP-SCVCMEIPSA-N
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