3-[(1R,2S)-2-(2-Phosphonoethyl)Cyclohexyl]-D-Alanine

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Properties Simple | Detailed

Formula C11H22NO5P
IUPAC Name (2r)-2-amino-3-[(1r,2s)-2-(2-phosphonoethyl)cyclohexyl]propanoic acid
Molecular Mass 279.270 g·mol−1
Heat of Formation -1339.4 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 331.09 Å 3
Surface Area 283.83 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-[(1r,2s)-2-(2-phosphonoethyl)cyclohexyl]propanoic acid
  • (2r)-2-amino-3-[(1r,2s)-2-(2-phosphonoethyl)cyclohexyl]propionic acid
InChIKey DHJQWBSZKBDBFP-IVZWLZJFSA-N
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