(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

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Properties Simple | Detailed

Formula C10H15N5O14P3
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 522.172 g·mol−1
Heat of Formation -3101.5 ± 16.7 kJ·mol−1
Dipole Moment 8.51 ± 1.08 D
Volume 491.04 Å 3
Surface Area 407.82 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.39 ± 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
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