[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl [(2R,3S,4R,5S)-3,4,5-Trihydroxytetrahydro-2-Furanyl]Methyl Methylenebis[Hydrogen (Phosphonate)]

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Properties Simple | Detailed

Formula C16H25N5O13P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy-[[(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydrofuran-2-yl]methoxy]phosphoryl]methyl]phosphinic acid
Molecular Mass 557.343 g·mol−1
Heat of Formation -2489.2 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 585.64 Å 3
Surface Area 468.5 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-[[hydroxy-[[(2r,3s,4r,5s)-3,4,5-trihydroxy-2-tetrahydrofuranyl]methoxy]phosphoryl]methyl]phosphinic acid
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[hydroxy-[[(2r,3s,4r,5s)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl]methyl]phosphinic acid
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy-[[(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydrofuran-2-yl]methoxy]phosphoryl]methyl]phosphinic acid
  • adv
  • alpha-beta methylene adp-ribose
  • ampcpr
  • {[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylmethyl}-phosphonic acid mono-(3,4,5-trihydroxy-tetrahydro-furan-2-ylmethyl) ester
InChIKey ZPZRETFSCSWNDT-DBXCYWGHSA-N
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