5'-O-[(R)-({5-[(3R)-1,2-Dithiolan-3-Yl]Pentanoyl}Oxy)(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C18H26N5O8PS2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 5-[(3r)-dithiolan-3-yl]pentanoate
Molecular Mass 535.532 g·mol−1
Heat of Formation -1584.3 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 576.17 Å 3
Surface Area 410.36 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(3r)-3-dithiolanyl]pentanoic acid [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] ester
  • 5-[(3r)-dithiolan-3-yl]valeric acid [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] 5-[(3r)-1,2-dithiolan-3-yl]pentanoate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 5-[(3r)-dithiolan-3-yl]pentanoate
  • laq
  • lpa-amp
InChIKey QWEGOCJRZOKSOE-ADUAKINBSA-N
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