[(1R)-2-(6-Aminopurin-9-Yl)-1-Methyl-Ethoxy]Methyl-Phosphonooxy-Phosphinic Acid

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Properties Simple | Detailed

Formula C9H15N5O7P2
IUPAC Name [(1r)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-phosphonooxy-phosphinic acid
Molecular Mass 367.192 g·mol−1
Heat of Formation -1562.7 ± 16.7 kJ·mol−1
Dipole Moment 6.57 ± 1.08 D
Volume 373.54 Å 3
Surface Area 313.68 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-2-(6-amino-9-purinyl)-1-methylethoxy]methyl-phosphonooxyphosphinic acid
  • [(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxy-phosphinic acid
  • pmpa-monophosphate
  • {[(1r)-2-(6-aminopurin-9-yl)-isopropoxy]methyl}phosphino hydroxy oxo phosphate
InChIKey BQDRSOMUPPCKPB-ZCFIWIBFSA-N
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