Phosphonic Acid, [[[[[[(2R,3S)-3-(2-Amino-1,4,7,8-Tetrahydro-4-Oxo-6-Pteridinyl)-2,3-Dihydroxypropyl]Oxy]Hydroxyphosphinyl]Oxy]Hydroxyphosphinyl]Methyl]-

Molecule SVG Image

Properties Simple | Detailed

Formula C10H18N5O12P3
IUPAC Name [[[(2r,3s)-3-(2-amino-4-oxo-7,8-dihydropteridin-1-ium-3-id-6-yl)-2,3-dihydroxy-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid
Molecular Mass 493.198 g·mol−1
Heat of Formation -2713.9 ± 16.7 kJ·mol−1
Dipole Moment 13.47 ± 1.08 D
Volume 485.6 Å 3
Surface Area 375.15 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • [[[(2r,3s)-3-(2-amino-4-keto-7,8-dihydro-1h-pteridin-6-yl)-2,3-dihydroxy-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid
  • [[[(2r,3s)-3-(2-amino-4-oxo-7,8-dihydro-1h-pteridin-6-yl)-2,3-dihydroxy-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid
  • [[[(2r,3s)-3-(2-amino-4-oxo-7,8-dihydro-1h-pteridin-6-yl)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid
  • beta,gamma-methylene-7,8-dihydroneopterin 3'-triphosphate
  • bgmdi
  • isohypophosphoric acid, (phosphonomethyl)-, (s-(r*,s*))-
CAS Number(s)
  • 92587-05-8
InChIKey VSEUOJKUXDWIQG-VDTYLAMSSA-N
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