5'-O-[(Chloromethyl)(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C11H15ClN5O6P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(chloromethyl)phosphinic acid
Molecular Mass 379.693 g·mol−1
Heat of Formation -1090.2 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 378.89 Å 3
Surface Area 302.54 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-(chloromethyl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-(chloromethyl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(chloromethyl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(chloromethyl)phosphinic acid
  • adenosine 5'-chloromethylphosphonate
  • adenosine, 5'-(hydrogen (chloromethyl)phosphonate)
  • adn 5'-cmpp
CAS Number(s)
  • 60397-93-5
InChIKey WROKOHMLHVJHIQ-IOSLPCCCSA-N
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Elements C Cl H O N P