[(2R,3S,4R,5R)-5-(2-Amino-8-Anilino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,5S)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C25H29N9O11P
IUPAC Name [(2r,3s,5s)-5-(6-λ1-azanyl-2-oxo-4,5-dihydropyrimidin-1-ium-4-ylium-5-id-3-yl)-2-(oxidomethyl)tetrahydrofuran-3-yl] [(2r,3s,4r,5r)-5-(2-λ1-azanyl-6-oxo-8-phenylazanidyl-purine-1,3,7-triium-9-yl)-3,4-dioxido-tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 662.525 g·mol−1
Heat of Formation -1735.8 ± 16.7 kJ·mol−1
Dipole Moment 16.15 ± 1.08 D
Volume 710.29 Å 3
Surface Area 559.3 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-[2-amino-6-keto-8-(phenylamino)-3h-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5s)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-[2-amino-6-oxo-8-(phenylamino)-3h-purin-9-yl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [(2r,3s,5s)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-tetrahydrofuranyl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-[2-amino-6-oxo-8-(phenylamino)-3h-purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [(2r,3s,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-[2-amino-6-oxo-8-(phenylamino)-3h-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-[2-amino-6-oxo-8-(phenylamino)-3h-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl [(2r,3s,5s)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
  • dcpg-an
  • guanosine, 2'-deoxycytidylyl-(3'-5')-8-(phenylamino)-
  • n-(deoxycytidylyl-(3'-5')-guanosin-8-yl)aniline
CAS Number(s)
  • 114692-54-5
InChIKey OLXWDNDFNBPOHG-VXSGUQNHSA-N
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