5'-O-{(S)-Hydroxy[(L-Serylamino)Oxy]Phosphoryl}Adenosine

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Properties Simple | Detailed

Formula C13H20N7O9P
IUPAC Name [[(2s)-2-amino-3-hydroxy-propanoyl]amino] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 449.313 g·mol−1
Heat of Formation -1526.1 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 458.42 Å 3
Surface Area 410.77 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • [[(2s)-2-amino-3-hydroxy-1-oxopropyl]amino] [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [[(2s)-2-amino-3-hydroxy-propanoyl]amino] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [[(2s)-2-amino-3-hydroxy-propanoyl]amino] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • ahx
  • seryl-hydroxamate-adenosine monophosphate
InChIKey WBBUFKBXWUDMQG-YTMOPEAISA-N
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