2'-Deoxythymidylyl-(3'-5')-2'-deoxyadenosine

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

Also Known As: dTpdA|Dtl-dad|TA(Asterisk)|(Dapt)|d(Tpa)|d(AT)|d(A-T)|Deoxyadenylyl-3'5'-deoxythymidylate|Adenosine, thymidylyl-(3'-5')-2'-deoxy-|2'-Deoxythymidylyl-(3'-5')-2'-deoxyadenosine|Deoxyadenylyl-3'.5'-deoxythymidylic acid|2/'-deoxythymidylyl-(3/'-5/')-2/'-deoxyadenosine|[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5S)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl] hydrogen phosphate|2'-Deoxy-5'-O-(hydroxy{[(2R,3R,5S)-3-(hydroxymethyl)-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)oxolan-2-yl]oxy}phosphoryl)adenosine|2'-deoxy-5'-o-(hydroxy{[(2r,3r,5s)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]oxy}phosphoryl)adenosine|9-[2-Deoxy-5-O-(hydroxy{[3-(hydroxymethyl)-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)oxolan-2-yl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine

Molecular Formula	C20H26N7O10P
Molecular Weight	555.1479 g/mol
LogP	-2.8
Topological Polar Surface Area	234.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	14
Rotatable Bonds	8
Exact Mass	555.1479
Monoisotopic Mass	555.1479
Heavy Atoms	38
Complexity	1010.0

Chemical Identifiers

CAS Number	22019-22-3
SMILES	CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)CO
InChIKey	XPAOKCSHUNYPBS-XSBNNCSWSA-N