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

Molecule SVG Image

Properties Simple | Detailed

Formula C19H24N8O11P
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-λ1-azanyl-6-oxo-purine-1,3-diium-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-oxo-phosphonium; (3-isocyanato-1-azoniacyclopropa-1,3-dien-2-yl)methyl-[(1r)-1-[(2s)-oxiran-2-yl]oxy-3-oxo-propyl]azanide
Molecular Mass 571.415 g·mol−1
Heat of Formation -1870.5 ± 16.7 kJ·mol−1
Dipole Moment 17.60 ± 1.08 D
Volume 590.74 Å 3
Surface Area 488.66 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxycytidylyl-(3'-5')-guanosine
  • [(2r,3s,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [(2r,3s,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2r,3s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
  • deoxycytidylyl-3',5'-guanosine
CAS Number(s)
  • 52474-59-6
InChIKey GLOIBDFBRCOVAO-DBBURVGMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C P O N