(2R,3R,4R,5R)-5-({[{[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}Methyl)-2-(6-Amino-9H-Purin-9-Yl)-4-Hydroxytetrahydro-3-Furanyl (2S)-2-Amino-3-Phenylpropanoate

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Properties Simple | Detailed

Formula C28H34N9O12P
IUPAC Name [(2r,3r,4r,5r)-5-[[[(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-2-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2s)-2-amino-3-phenylpropanoate
Molecular Mass 719.596 g·mol−1
Heat of Formation -1893.8 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 777.41 Å 3
Surface Area 657.37 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-phenyl-propionic acid [(2r,3r,4r,5r)-5-[[[(2r,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxymethyl]-2-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-3-yl] ester
  • (2s)-2-amino-3-phenylpropanoic acid [(2r,3r,4r,5r)-5-[[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxymethyl]-2-(6-amino-9-purinyl)-4-hydroxy-3-tetrahydrofuranyl] ester
  • [(2r,3r,4r,5r)-5-[[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxymethyl]-2-(6-aminopurin-9-yl)-4-hydroxy-oxolan-3-yl] (2s)-2-amino-3-phenyl-propanoate
  • [(2r,3r,4r,5r)-5-[[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxymethyl]-2-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-3-yl] (2s)-2-amino-3-phenyl-propanoate
  • adenosine, cytidylyl-(3'-5')-, 2'(or 3')-ester with l-phenylalanine
  • cytidylyl-3'-5'-(2'(3')-o-l-phenylalanyl)-l-adenosine
CAS Number(s)
  • 52250-44-9
InChIKey UHMXLTQHLWFAOA-YFRPHIFASA-N
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