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

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Properties Simple | Detailed

Formula C14H19N6O10P
IUPAC Name (3s)-3-amino-4-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-oxo-butanoic acid
Molecular Mass 462.309 g·mol−1
Heat of Formation -1854.4 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 478.04 Å 3
Surface Area 422.64 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-amino-4-[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-4-oxobutanoic acid
  • (3s)-3-amino-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-oxo-butanoic acid
  • (3s)-3-amino-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-keto-butyric acid
  • (3s)-3-amino-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-oxo-butanoic acid
  • amo
  • aspartyl-adenosine-5'-monophosphate
InChIKey QPBSGQWTJLPZNF-VWJPMABRSA-N
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