2'-Deoxycytidylyl-(3'-5')-thymidine

[(2R,3S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

Also Known As: 2'-Dcpt|2'-Deoxycytidylyl-(3'-5')-thymidine|KST-1A5781|dCpdT DNA Dinucleotide (5'-3')|2'-deoxy-cytidylyl-(3'->5')-thymidine|Thymidine, 2'-deoxycytidylyl-(3'-5')-|2'-deoxycytidylyl-(3',5')-thymidine phosphate|(2r,3s,5s)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate(non-preferred name)|[(2R,3S,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid|[(2R,3S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

Molecular Formula	C19H26N5O11P
Molecular Weight	531.13666 g/mol
LogP	-3.8
Topological Polar Surface Area	223.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	531.13666
Monoisotopic Mass	531.13666
Heavy Atoms	36
Complexity	1060.0

Chemical Identifiers

CAS Number	5443-52-7
SMILES	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@H](O[C@@H]3CO)N4C=CC(=NC4=O)N)O
InChIKey	OUJLZFGNZMPALU-LMNBOPHZSA-N