dThd-P-m6Gua-dRibf-P-dCyd-P-dAdo

[(2R,3S,5R)-5-(2-amino-6-methoxypurin-9-yl)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate

Also Known As: Adenosine, thymidylyl-(3'->5')-2'-deoxy-6-O-methylguanylyl-(3'->5')-2'-deoxycytidylyl-(3'->5')-2'-deoxy-|[(2R,3S,5R)-5-(2-amino-6-methoxy-purin-9-yl)-2-[[hydroxy-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxy-[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[(2R,3S)-5-(6-aminopurin-9-yl)-3|[(2R,3S,5R)-5-(2-amino-6-methoxypurin-9-yl)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate|N,N'-(3-(4-Chlorophenyl)-2-(methylimino)-4,5-thiazolidinediylidene)bis(trifluoromethylamine)

Molecular Formula	C40H52N15O22P3
Molecular Weight	1187.2625 g/mol
LogP	-6.7
Topological Polar Surface Area	501.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	30
Rotatable Bonds	21
Exact Mass	1187.2625
Monoisotopic Mass	1187.2625
Heavy Atoms	80
Complexity	2550.0

Chemical Identifiers

CAS Number	80228-05-3
SMILES	CC1=CN(C(=O)NC1=O)[C@H]2CC([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C4N=C(N=C5OC)N)OP(=O)(O)OC[C@@H]6[C@H](C[C@@H](O6)N7C=CC(=NC7=O)N)OP(=O)(O)OC[C@@H]8[C@H](CC(O8)N9C=NC1=C(N=CN=C19)N)O
InChIKey	XBGOYQTVPQMYFC-ZMVNDNELSA-N