1-[(6R)-2-Amino-4-Oxo-1,4,5,6,7,8-Hexahydro-6-Pteridinyl]-1,2-Propanedione

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Formula C9H12N5O3+
IUPAC Name 1-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydropteridin-1-ium-3-id-6-yl]propane-1,2-dione
Molecular Mass 238.223 g·mol−1
Heat of Formation -240.0 ± 16.7 kJ·mol−1
Dipole Moment 8.51 ± 1.08 D
Volume 261.3 Å 3
Surface Area 241.3 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-propanedione, 1-(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)-(r)
  • 1,2-propanedione, 1-[(6r)-2-amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl]-
  • 1-[(6r)-2-amino-4-keto-5,6,7,8-tetrahydro-1h-pteridin-6-yl]propane-1,2-dione
  • 1-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pteridin-6-yl]propane-1,2-dione
  • 6(r)-pyruvoyltetra-hydropterin
CAS Number(s)
  • 101383-42-0
InChIKey WBJZXBUVECZHCE-SCSAIBSYSA-N
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