N-[Methyl(7H-Purin-6-Yl)Carbamoyl]-L-Threonine

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Properties Simple | Detailed

Formula C11H14N6O4
IUPAC Name (2s,3r)-3-hydroxy-2-[[methyl(purin-7-ium-6-yl)carbamoyl]amino]butanoic acid
Molecular Mass 294.267 g·mol−1
Heat of Formation -479.4 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 323.3 Å 3
Surface Area 286.14 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-3-hydroxy-2-[(methyl-(7h-purin-6-yl)carbamoyl)amino]butanoic acid
  • (2s,3r)-3-hydroxy-2-[(methyl-(7h-purin-6-yl)carbamoyl)amino]butyric acid
  • (2s,3r)-3-hydroxy-2-[[(methyl-(7h-purin-6-yl)amino)-oxomethyl]amino]butanoic acid
  • m(6)tc(6)ade
  • n(6)-methyl-n(6)-(n-threonylcarbonyl)adenine
CAS Number(s)
  • 132603-03-3
InChIKey XZLRWTMZJKLIDG-RITPCOANSA-N
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