Methyl (2S)-3-(4-{[{[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}Phenyl)-2-{[(2E)-4-Oxo-2-Butenoyl]Amino}Propanoate

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Properties Simple | Detailed

Formula C24H25N6O11P
IUPAC Name 4-[1-[[4-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxybenzene-2,3,5,6-tetraid-1-yl]methyl]-2-oxo-vinyl]azanidyl-4-oxo-but-1-yn-1-olate; methanone
Molecular Mass 604.463 g·mol−1
Heat of Formation -1776.9 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 661.49 Å 3
Surface Area 559.4 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-[4-[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxyphenyl]-2-[[(e)-1,4-dioxobut-2-enyl]amino]propanoic acid methyl ester
  • (2s)-3-[4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphenyl]-2-[[(e)-4-ketobut-2-enoyl]amino]propionic acid methyl ester
  • l-tyrosine, n-(3-carboxy-1-oxopropyl)-, (4alpha)-
  • methyl (2s)-3-[4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphenyl]-2-[[(e)-4-oxobut-2-enoyl]amino]propanoate
  • methyl (2s)-3-[4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphenyl]-2-[[(e)-4-oxobut-2-enoyl]amino]propanoate
  • methyl (2s)-3-[4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphenyl]-2-[[(e)-4-oxobut-2-enoyl]amino]propanoate
  • n-(3-carboxypropionyl)-l-tyrosine, 2'-ester with adenosine cyclic 3',5'-(hydrogen phosphate)
  • succinyl cyclic amp-tyrosine methyl ester
CAS Number(s)
  • 60448-20-6
InChIKey LAFZLPIELHLSEB-SWONRLGOSA-N
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