(2R,4R,5R,6R,7R)-2,4,5,6,7-Pentahydroxy-2,8-Bis(Phosphonooxy)Octanoic Acid

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Formula C8H18O15P2
IUPAC Name (2r,4r,5r,6r,7r)-2,4,5,6,7-pentahydroxy-2,8-diphosphonooxy-octanoic acid
Molecular Mass 416.167 g·mol−1
Heat of Formation -3493.7 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 395.67 Å 3
Surface Area 348.19 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4r,5r,6r,7r)-2,4,5,6,7-pentahydroxy-2,8-diphosphonooxy-caprylic acid
  • (2r,4r,5r,6r,7r)-2,4,5,6,7-pentahydroxy-2,8-diphosphonooxy-octanoic acid
  • (2r,4r,5r,6r,7r)-2,4,5,6,7-pentahydroxy-2,8-diphosphonooxyoctanoic acid
  • 1nt
InChIKey FGVVFQVXYXTAAW-HXUQBWEZSA-N
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