[(3S)-3-Hydroxy-2-Oxo-4-(Phosphonooxy)Butyl]Phosphonic Acid

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Properties Simple | Detailed

Formula C4H10O9P2
IUPAC Name [(3s)-3-hydroxy-2-oxo-4-phosphonooxy-butyl]phosphonic acid
Molecular Mass 264.064 g·mol−1
Heat of Formation -2245.4 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 250.56 Å 3
Surface Area 228.97 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 3-hydroxy-2-oxo-4-phophonoxy- butyl)-phosphonic acid
  • [(3s)-3-hydroxy-2-keto-4-phosphonooxy-butyl]phosphonic acid
  • [(3s)-3-hydroxy-2-oxo-4-phosphonooxy-butyl]phosphonic acid
  • [(3s)-3-hydroxy-2-oxo-4-phosphonooxybutyl]phosphonic acid
  • s70
InChIKey ISHNYNQEXZYUQN-VKHMYHEASA-N
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