[(2R,3S,4R,5R)-5-(4-Amino-5-Iodo-2-Oxo-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C19H24IN8O12P
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-5-iodo-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 714.318 g·mol−1
Heat of Formation -2008.3 ± 16.7 kJ·mol−1
Dipole Moment 9.41 ± 1.08 D
Volume 639.94 Å 3
Surface Area 428.36 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 5-iodocytidylyl-(3'-5')-guanosine
  • [(2r,3s,4r,5r)-5-(4-amino-5-iodo-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-5-iodo-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-5-iodo-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-5-iodo-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • guanosine, 5-iodocytidylyl-(3'-5')-
CAS Number(s)
  • 55628-64-3
InChIKey DZCNUBMVAIQJNV-VVVISLFDSA-N
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