(1R,2R,3S)-2-(Methylcarbamoyl)-3-[4-(Phosphonooxy)Phenyl]Cyclopropanecarboxylic Acid

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Properties Simple | Detailed

Formula C12H14NO7P
IUPAC Name (1r,2r,3s)-2-(methylcarbamoyl)-3-(4-phosphonooxyphenyl)cyclopropanecarboxylic acid
Molecular Mass 315.216 g·mol−1
Heat of Formation -1427.4 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 340.24 Å 3
Surface Area 306.69 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3s)-2-(methylcarbamoyl)-3-(4-phosphonooxyphenyl)-1-cyclopropanecarboxylic acid
  • (1r,2r,3s)-2-(methylcarbamoyl)-3-(4-phosphonooxyphenyl)cyclopropane-1-carboxylic acid
InChIKey GIIUHKRUTUSHAB-IVZWLZJFSA-N
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