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

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Properties Simple | Detailed

Formula C11H22NO5P
IUPAC Name (2s)-2-amino-3-[(1r,2s)-2-(2-phosphonoethyl)cyclohexyl]propanoic acid
Molecular Mass 279.270 g·mol−1
Heat of Formation -1338.1 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 328.11 Å 3
Surface Area 279.13 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 3.59 ± eV
Point Group Symmetry C1
Synonyms
  • (1r-(1-alpha(s*),2-alpha))-alpha-amino-2-(2-phosphonoethyl)cyclohexanepropanoic acid
  • (2r,4r,5s)-2-amino-4,5-(1,2-cyclohexyl)-7-phosphonoheptanoic acid
  • (2s)-2-amino-3-[(1r,2s)-2-(2-phosphonoethyl)cyclohexyl]propanoic acid
  • (2s)-2-amino-3-[(1r,2s)-2-(2-phosphonoethyl)cyclohexyl]propionic acid
  • cyclohexanepropanoic acid, alpha-amino-2-(2-phosphonoethyl)-, (1r-(1-alpha(s*),2-alpha))-
  • cyclohexanepropanoic acid, alpha-amino-2-(2-phosphonoethyl)-, (1r-(1alpha(s*),2alpha))-
CAS Number(s)
  • 144301-40-6
InChIKey DHJQWBSZKBDBFP-AEJSXWLSSA-N
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