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

Molecule SVG Image

Properties Simple | Detailed

Formula C16H24N5O10P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2r)-2,4-dihydroxy-3,3-dimethylbutanoate
Molecular Mass 477.363 g·mol−1
Heat of Formation -1960.5 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 499.26 Å 3
Surface Area 405.57 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.01 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N