Dihydropteroic Acid

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Properties Simple | Detailed

Formula C14H15N6O3+
IUPAC Name 4-[(2-amino-4-oxo-7,8-dihydropteridin-1-ium-3-id-6-yl)methylamino]benzoic acid
Molecular Mass 315.307 g·mol−1
Heat of Formation -157.6 ± 16.7 kJ·mol−1
Dipole Moment 12.48 ± 1.08 D
Volume 344.81 Å 3
Surface Area 324.81 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(((2-amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl)amino)benzoic acid
  • 4-[(2-amino-4-keto-7,8-dihydro-1h-pteridin-6-yl)methylamino]benzoic acid
  • 4-[(2-amino-4-oxo-7,8-dihydro-1h-pteridin-6-yl)methylamino]benzoic acid
  • 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoic acid
  • 7,8-dihydropteroate
  • 7,8-dihydropteroic acid
  • benzoic acid, 4-[[(2-amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl]amino]-
  • dihydropterate
  • dihydropteroate
  • h2pte
CAS Number(s)
  • 2134-76-1
InChIKey WBFYVDCHGVNRBH-UHFFFAOYSA-N
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