1-({[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Acetyl)-L-Proline

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Properties Simple | Detailed

Formula C7H13NO10P2
IUPAC Name (2s)-1-[2-[hydroxy(phosphonooxy)phosphoryl]oxyacetyl]pyrrolidine-2-carboxylic acid
Molecular Mass 333.126 g·mol−1
Heat of Formation -2466.4 ± 16.7 kJ·mol−1
Dipole Moment 8.17 ± 1.08 D
Volume 323.44 Å 3
Surface Area 287.14 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[2-(hydroxy-phosphonooxy-phosphoryl)oxyacetyl]proline
  • (2s)-1-[2-(hydroxy-phosphonooxy-phosphoryl)oxyacetyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[2-(hydroxy-phosphonooxy-phosphoryl)oxyethanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[2-(hydroxy-phosphonooxyphosphoryl)oxy-1-oxoethyl]-2-pyrrolidinecarboxylic acid
  • (2s)-1-[2-(hydroxy-phosphonooxyphosphoryl)oxyacetyl]pyrrolidine-2-carboxylic acid
InChIKey JFTJDUMMWOSHFL-YFKPBYRVSA-N
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