5'-O-[(R)-{[(2R)-2,4-Dihydroxy-3,3-Dimethylbutanoyl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C16H24N5O10P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2r)-2,4-dihydroxy-3,3-dimethyl-butanoate
Molecular Mass 477.363 g·mol−1
Heat of Formation 57.1 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 472.4 Å 3
Surface Area 425.87 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -3.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2,4-dihydroxy-3,3-dimethyl-butyric acid [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester
  • (2r)-2,4-dihydroxy-3,3-dimethylbutanoic acid [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] ester
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2r)-2,4-dihydroxy-3,3-dimethyl-butanoate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2r)-2,4-dihydroxy-3,3-dimethyl-butanoate
  • paj
  • pantoyl adenylate
InChIKey GDPVENOGSVMRJL-FSRKKXLISA-N
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