Thymidylyl-(3'-5')-thymidine monophosphate

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

Also Known As: TpTp|thymidylyl-(3'-5')-thymidine monophosphate|J1.615.837B|5 -O-(3 -Thymidylyl)-3 -thymidylic acid|1-(4-hydroxyphenyl)-3-(methylamino)propan-1-one,hydrochloride|[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate|{[(2R,3S,5R)-2-({[hydroxy({[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy})phosphoryl]oxy}methyl)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy}phosphonic acid

Molecular Formula	C20H28N4O15P2
Molecular Weight	626.10266 g/mol
LogP	-4.2
Topological Polar Surface Area	260.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	15
Rotatable Bonds	10
Exact Mass	626.10266
Monoisotopic Mass	626.10266
Heavy Atoms	41
Complexity	1270.0

Chemical Identifiers

CAS Number	2476-56-4
SMILES	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)OP(=O)(O)O
InChIKey	LPGUBBCKPSUVTG-KPRKPIBOSA-N