[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3S,4S,5S,6S)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl Dihydrogen Diphosphate (Non-Preferred Name)

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Properties Simple | Detailed

Formula C16H25N5O16P2
IUPAC Name [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 605.341 g·mol−1
Heat of Formation -3282.3 ± 16.7 kJ·mol−1
Dipole Moment 13.07 ± 1.08 D
Volume 596.47 Å 3
Surface Area 433.67 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 1.66 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-[(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [hydroxy-[[(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-[(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] hydrogen phosphate
  • gke
  • guanosine 5'-diphosphate-beta-l-gulose
InChIKey MVMSCBBUIHUTGJ-HVMPVDAASA-N
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