4-(2,4,7-Triamino-6-Pteridinyl)Phenyl Hydrogen Sulfate

Molecule SVG Image

Properties Simple | Detailed

Formula C12H11N7O4S
IUPAC Name [4-(2,4,7-triaminopteridin-6-yl)phenyl] hydrogen sulfate
Molecular Mass 349.325 g·mol−1
Heat of Formation -291.0 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 353.27 Å 3
Surface Area 326.47 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2,4,7-triaminopteridin-6-yl)phenol hydrogen sulfate (ester)
  • [4-(2,4,7-triamino-6-pteridinyl)phenyl] hydrogen sulfate
  • hydroxytriamterene sulfate
  • hydroxytriamterene sulfate ester
  • hydroxytriamterene sulfuric acid ester
  • phenol, 4-(2,4,7-triaminopteridin-6-yl)-, hydrogen sulfate (ester)
  • phenol, 4-(2,4-diamino-6-pteridinyl)-, hydrogen sulfate (ester)
  • sulfuric acid, 4-(2,4,7-triamino-6-pteridinyl)phenyl ester
CAS Number(s)
  • 94505-25-6
  • 61867-18-3
  • 1476-48-8
InChIKey UGLZTFAGJYBEIZ-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N