Adenosine, 5'->P'-ester with thiodiphosphoric acid ((HO)2P(O)OP(S)(OH)2)

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] dihydrogen phosphate

Also Known As: Adpalphas|ADP alpha S|ADP-alpha-S|Adenosine 5'-O-(1-thiodiphosphate)|adenosine 5'-(1-thiodiphosphate)|Adenosine 5 -alpha-thiodiphosphoric acid|[35S]-Adenosine 5'-O-(1-thiodiphosphate)|O5'-(trihydroxy-1-thio-diphosphoryl)-adenosine|5'-O-[Hydroxy(phosphonooxy)phosphorothioyl]adenosine|adenosine-5'-o-(1-thiodiphosphate), rp-isomer sodium salt|[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] dihydrogen phosphate|Adenosine,-5'-P'-ester with thiodiphosphoric acid ((HO)2P(O)OP(S)(OH)2)|Phosphoric acid (thiophosphoric acid 5 -adenosyl)anhydride|9-{5-O-[Hydroxy(phosphonooxy)phosphorothioyl]pentofuranosyl}-9H-purin-6-amine|Adenosine, 5'->P'-ester with thiodiphosphoric acid ((HO)2P(O)OP(S)(OH)2)|[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(sulfanyl)phosphoryl)oxy]phosphonic acid

Molecular Formula	C10H15N5O9P2S
Molecular Weight	443.00656 g/mol
LogP	-2.9
Topological Polar Surface Area	248.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	6
Exact Mass	443.00656
Monoisotopic Mass	443.00656
Heavy Atoms	27
Complexity	642.0

Chemical Identifiers

CAS Number	59331-71-4
SMILES	C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O)OP(=O)(O)O)O)O)N
InChIKey	LPUNOWSWFBIBQH-JVXRWYCYSA-N