P-[(2-Amino-4-Hydroxy-6-Pteridylmethyl)Amino]Benzoic Acid

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Properties Simple | Detailed

Formula C14H12N6O3
IUPAC Name 4-[(2-amino-4-oxo-1h-pteridine-3,5,8-triium-6-yl)methylamino]benzoic acid
Molecular Mass 312.283 g·mol−1
Heat of Formation -121.6 ± 16.7 kJ·mol−1
Dipole Moment 9.23 ± 1.08 D
Volume 340.27 Å 3
Surface Area 320.47 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
Synonyms
  • 4-((2-amino-4-hydroxy-6-pteridylmethyl)amino)benzoic acid
  • 4-[(2-amino-4-keto-1h-pteridin-6-yl)methylamino]benzoic acid
  • 4-[(2-amino-4-oxo-1h-pteridin-6-yl)methylamino]benzoic acid
  • 4-{[(2-amino-3,4-dihydro-4-oxopteridin-6-yl)methyl]amino}benzoic acid
  • 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid
  • 4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}benzoic acid
  • 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid
  • benzoic acid, 4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)-
  • benzoic acid, 4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)- (9ci)
  • benzoic acid, 4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]-
  • p-((2-amino-4-hydroxy-6-pteridylmethyl)amino)benzoic acid
  • pt1
  • pteroic acid
  • pteroic acid (8ci)
CAS Number(s)
  • 4955-72-0
  • 119-24-4
InChIKey JOAQINSXLLMRCV-UHFFFAOYSA-N
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