3-Chloro-D-Alanyl-D-Alanine

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Properties Simple | Detailed

Formula C6H11ClN2O3
IUPAC Name (2r)-2-[[(2s)-2-amino-3-chloro-propanoyl]amino]propanoic acid
Molecular Mass 194.616 g·mol−1
Heat of Formation -655.1 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 217.85 Å 3
Surface Area 206.21 Å 2
HOMO Energy -10.07 ± 0.55 eV
LUMO Energy 3.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(2s)-2-amino-3-chloro-1-oxopropyl]amino]propanoic acid
  • (2r)-2-[[(2s)-2-amino-3-chloro-propanoyl]amino]propanoic acid
  • (2r)-2-[[(2s)-2-amino-3-chloro-propanoyl]amino]propionic acid
  • (2r)-2-[[(2s)-2-amino-3-chloropropanoyl]amino]propanoic acid
  • alanyl-beta-chloroalanine
  • d-alanine, n-(3-chloro-d-alanyl)-
  • diaca
CAS Number(s)
  • 76572-09-3
InChIKey UNSCRPPDIORSTJ-QWWZWVQMSA-N
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Elements H C N O Cl