3'-O-L-Tryptophyladenosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C21H24N7O8P
IUPAC Name [5-[(5e)-4-cyano-5-cyanoimino-2h-imidazol-1-yl]-4-oxo-2-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxymethyl]-3-furyl]oxymethanolate; (4-cyano-2-methylene-but-3-ynyl)-methylidyne-ammonium
Molecular Mass 533.431 g·mol−1
Heat of Formation -1299.9 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 572.74 Å 3
Surface Area 481.4 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(1h-indol-3-yl)propanoic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-(phosphonooxymethyl)-3-tetrahydrofuranyl] ester
  • (2s)-2-amino-3-(1h-indol-3-yl)propionic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] ester
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] (2s)-2-amino-3-(1h-indol-3-yl)propanoate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] (2s)-2-amino-3-(1h-indol-3-yl)propanoate
  • l-tryptophan, monoanhydride with 5'-adenylic acid
  • tryptophyl adenylate
CAS Number(s)
  • 31528-64-0
InChIKey ZTKQHOGBACRMGC-SQIXAUHQSA-N
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