(3R,4S,5R)-5-Amino-4-Hydroxy-3-(Phosphonooxy)-1-Cyclohexene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C7H12NO7P
IUPAC Name (3r,4s,5r)-5-amino-4-hydroxy-3-phosphonooxy-cyclohexene-1-carboxylic acid
Molecular Mass 253.146 g·mol−1
Heat of Formation -1573.7 ± 16.7 kJ·mol−1
Dipole Moment 7.15 ± 1.08 D
Volume 256.74 Å 3
Surface Area 237.61 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,5r)-5-amino-4-hydroxy-3-phosphonooxy-1-cyclohexenecarboxylic acid
  • (3r,4s,5r)-5-amino-4-hydroxy-3-phosphonooxy-cyclohexene-1-carboxylic acid
  • (3r,4s,5r)-5-amino-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
  • 5-aminoshikimate-3-phosphate
  • 5-asmp
CAS Number(s)
  • 135292-59-0
InChIKey RPEBFFQWTDZBGR-PBXRRBTRSA-N
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