Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid)

[(2R,3S,5R)-2-[2,3-bis[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]-2-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]propyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate

Also Known As: d(T-A-T-A)|Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid)|Adenosine, thymidylyl-(3'-5')-2'-deoxyadenylyl-(3'-5')-thymidylyl-(3'-5')-2'-deoxy-, endo-|[(2R,3S,5R)-2-[2,3-bis[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]-2-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]propyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate

Molecular Formula	C40H51N14O22P3
Molecular Weight	1172.2515 g/mol
LogP	-1.97196
Topological Polar Surface Area	515.62 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	26
Rotatable Bonds	18
Exact Mass	1172.2515
Monoisotopic Mass	1172.2515
Heavy Atoms	79
Complexity	3699.7642

Chemical Identifiers

CAS Number	39726-35-7
SMILES	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)(C[C@@H]6[C@H](C[C@@H](O6)N7C=C(C(=O)NC7=O)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H]8[C@H](C[C@@H](O8)N9C=NC1=C(N=CN=C19)N)O)O