N(6)-2'-O-Dibutyryl-8-thiocyclic amp

[(4aR,6R,7R,7aR)-6-[6-(butanoylamino)-8-sulfanylidene-7H-purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate

Also Known As: N(6)-2'-O-Dibutyryl-8-thiocyclic amp|[(4aR,6R,7R,7aR)-6-[6-(butanoylamino)-8-sulfanylidene-7H-purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate|3-(2-mercapto-ethyl)-5,5-diphenyl-imidazolidine-2,4-dione|(4aR,6R,7R,7aR)-6-(6-Butanamido-8-sulfanylidene-7,8-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butanoate|Adenosine, 7,8-dihydro-N-(1-oxobutyl)-8-thioxo-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate

Molecular Formula	C18H24N5O8PS
Molecular Weight	501.1083 g/mol
LogP	2.35259
Topological Polar Surface Area	166.89 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	7
Exact Mass	501.1083
Monoisotopic Mass	501.1083
Heavy Atoms	33
Complexity	1168.3969

Chemical Identifiers

CAS Number	34409-10-4
SMILES	CCCC(=O)NC1=C2C(=NC=N1)N(C(=S)N2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)OC(=O)CCC