Dihydropteroic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C14H14N6O3
IUPAC Name 4-[(2-amino-4-oxo-7,8-dihydropteridin-1-ium-3-id-6-yl)methylamino]benzoic acid
Molecular Mass 314.299 g·mol−1
Heat of Formation -158.0 ± 16.7 kJ·mol−1
Dipole Moment 12.46 ± 1.08 D
Volume 345.55 Å 3
Surface Area 325.53 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.89 ± 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
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N