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

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Properties Simple | Detailed

Formula C19H28N9O10P
IUPAC Name [(2s,3s,4r,5r)-3-amino-4-hydroxy-5-(6-λ1-azanyl-2-oxo-4,5-dihydropyrimidin-1-ium-4-ylium-5-id-3-yl)tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-λ1-azanylpurin-9-yl)tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 573.454 g·mol−1
Heat of Formation -1712.2 ± 16.7 kJ·mol−1
Dipole Moment 8.45 ± 1.08 D
Volume 593.56 Å 3
Surface Area 486.02 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-deoxy-3'-aminocytidylyl(3'-5')adenosine
  • [(2s,3s,4r,5r)-3-amino-5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2s,3s,4r,5r)-3-amino-5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-tetrahydrofuranyl]methyl [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2s,3s,4r,5r)-3-amino-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-oxolan-2-yl]methyl [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2s,3s,4r,5r)-3-amino-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2s,3s,4r,5r)-3-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
  • adenosine, 3'-amino-3'-deoxycytidylyl-(3'-5')-
  • c(3'nh)pa
CAS Number(s)
  • 70834-14-9
InChIKey RFDGFVQDQPIHOX-YRHMQFFASA-N
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