(1S,3R,4R,5S)-1,3,4-Trihydroxy-5-(Phosphonomethyl)Cyclohexanecarboxylic Acid

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Properties Simple | Detailed

Formula C8H15O8P
IUPAC Name (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(phosphonomethyl)cyclohexanecarboxylic acid
Molecular Mass 270.174 g·mol−1
Heat of Formation -1817.6 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 284.75 Å 3
Surface Area 252.32 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(phosphonomethyl)-1-cyclohexanecarboxylic acid
  • (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(phosphonomethyl)cyclohexane-1-carboxylic acid
  • [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid
  • crb
InChIKey BKLICLLAHMTUPK-UNGCPHIMSA-N
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