5'-O-[{[(2S)-2-Amino-3-Phenylpropanoyl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C18H29N6O8P
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-2,8-dihydropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(e,2s)-2-amino-4-ethyl-hex-4-enoyl] phosphate
Molecular Mass 488.432 g·mol−1
Heat of Formation -1385.5 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 531.23 Å 3
Surface Area 463.5 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-phenyl-propionic acid [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester
  • (2s)-2-amino-3-phenylpropanoic acid [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] ester
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-amino-3-phenyl-propanoate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-amino-3-phenyl-propanoate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2s)-2-amino-3-phenylpropanoate
  • adenosine-5'-[phenylalaninyl-phosphate]
  • fa5
  • l-phenylalanine, monoanhydride with 5'-adenylic acid
  • phe-pa
  • phenylalanyl adenylate
CAS Number(s)
  • 35874-27-2
InChIKey ZFNOOEXYTZPIQS-URQYDQELSA-N
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