P-ethylthymidylyl-(3'-5')-thymidine

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

Also Known As: Dtpdt ethylphosphotriester|Dtp(Et)dT|P-Ethylthymidylyl-(3'-5')-thymidine|Thymidine, P-ethylthymidylyl-(3'-5')-|J2.241.502F|ethyl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate|3 -O,5 -O-(Ethoxyphosphinylidene)bisthymidine|Phosphoric acid ethyl 3 -thymidyl 5 -thymidyl ester|ethyl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl (2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl phosphate

Molecular Formula	C22H31N4O12P
Molecular Weight	574.1676 g/mol
LogP	-0.82176
Topological Polar Surface Area	213.4 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	10
Exact Mass	574.1676
Monoisotopic Mass	574.1676
Heavy Atoms	39
Complexity	1464.4031

Chemical Identifiers

CAS Number	35002-96-1
SMILES	CCOP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=C(C(=O)NC4=O)C