5'-O-[{[(2S)-2-Formamido-4-(Methylsulfanyl)Butanoyl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C16H23N6O9PS
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-formamido-4-methylsulfanyl-butanoate
Molecular Mass 506.427 g·mol−1
Heat of Formation -1677.0 ± 16.7 kJ·mol−1
Dipole Moment 1.29 ± 1.08 D
Volume 538.19 Å 3
Surface Area 436.06 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-formamido-4-(methylthio)butanoic acid [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] ester
  • (2s)-2-formamido-4-(methylthio)butyric acid [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester
  • 3'(2')-o-(n-formylmethionyl)adenosine 5'-phosphate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-formamido-4-methylsulfanyl-butanoate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-formamido-4-methylsulfanyl-butanoate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2s)-2-formamido-4-methylsulfanylbutanoate
  • l-methionine, n-formyl-, monoester with 5'-adenylic acid
  • pa-(fmet)
CAS Number(s)
  • 58682-53-4
InChIKey FIJSYXMGTUSJSV-OPYVMVOTSA-N
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