Ethyl Hydrogen {(3R)-3-[(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)Methoxy]-4-Hydroxybutyl}Phosphonate

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Properties Simple | Detailed

Formula C12H21N5O6P
IUPAC Name [(3r)-3-[(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)methoxy]-4-hydroxy-butyl]-ethoxy-phosphinic acid
Molecular Mass 362.299 g·mol−1
Heat of Formation -1048.0 ± 16.7 kJ·mol−1
Dipole Moment 12.17 ± 1.08 D
Volume 403.36 Å 3
Surface Area 363.24 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 9-(3'-ethylphosphono-1'-hydroxymethyl-1'-propyloxymethyl)guanine
  • [(3r)-3-[(2-amino-6-keto-3h-purin-9-yl)methoxy]-4-hydroxy-butyl]-ethoxy-phosphinic acid
  • [(3r)-3-[(2-amino-6-oxo-3h-purin-9-yl)methoxy]-4-hydroxy-butyl]-ethoxy-phosphinic acid
  • [(3r)-3-[(2-amino-6-oxo-3h-purin-9-yl)methoxy]-4-hydroxybutyl]-ethoxyphosphinic acid
  • [3-(2-amino-6-oxo-1,6-dihydro-purin-9-ylmethoxy)-4-hydroxy-butyl]-phosphonic acid monoethyl ester
  • phosphonic acid, (3-((2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)methoxy)-4-hydroxybutyl)-, monoethyl ester, (r)-
  • sr-3727a
CAS Number(s)
  • 150943-49-0
InChIKey SHTSUAVVZOYEBO-MRVPVSSYSA-N
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