(2S)-Amino[(4R)-2-Amino-1,4,5,6-Tetrahydro-4-Pyrimidinyl]Acetic Acid

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Properties Simple | Detailed

Formula C6H12N4O2
IUPAC Name (2s)-2-amino-2-[(4r)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]acetic acid
Molecular Mass 172.185 g·mol−1
Heat of Formation -320.2 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 203.03 Å 3
Surface Area 194.44 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-2-[(4r)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]acetic acid
  • (2s)-2-amino-2-[(4r)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid
  • amino-(2-imino-hexahydro-pyrimidin-4-yl)-acetic acid
InChIKey XHNWDEHKMJLKGG-DMTCNVIQSA-N
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