(2R)-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl){[(2R)-1-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-3-Oxo-2-Propanyl]Oxy}Acetic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C10H14N5O14P3
IUPAC Name (2r)-2-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-2-[(1r)-1-formyl-2-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]ethoxy]acetic acid
Molecular Mass 521.165 g·mol−1
Heat of Formation -3065.3 ± 16.7 kJ·mol−1
Dipole Moment 13.69 ± 1.08 D
Volume 492.8 Å 3
Surface Area 361.89 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(2-amino-6-keto-3h-purin-9-yl)-2-[(1r)-1-formyl-2-[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]ethoxy]acetic acid
  • (2r)-2-(2-amino-6-oxo-3h-purin-9-yl)-2-[(1r)-1-formyl-2-[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]ethoxy]acetic acid
  • (2r)-2-(2-amino-6-oxo-3h-purin-9-yl)-2-[(1r)-1-formyl-2-[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]ethoxy]acetic acid
  • (2r)-2-(2-amino-6-oxo-3h-purin-9-yl)-2-[(2r)-1-[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]-3-oxo-propan-2-yl]oxy-ethanoic acid
  • (2r)-2-(2-amino-6-oxo-3h-purin-9-yl)-2-[(2r)-1-[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]-3-oxopropan-2-yl]oxyacetic acid
  • 2',3'-dialdehyde gtp
  • 2-(guanylformylmethoxy)-3-(triphospho)propanal
  • dial gtp
  • gtp dialdehyde
  • gtpox
  • triphosphoric acid, p-(2-(1-(2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)-2-oxoethoxy)-3-oxopropyl) ester, (r-(r*,r*))-
CAS Number(s)
  • 58045-02-6
InChIKey WBRWDENTTNQUMV-SPGJFGJESA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N