RefChem:385594

[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

Also Known As: 5'-O,5'''-O-(Oxybisphosphinico)bis[3'-azido-3'-deoxythymidine]|5 -O,5 -O-(Oxybisphosphinico)bis[3 -azido-3 -deoxythymidine]|Diphosphoric acid alpha,beta-bis(3 -deoxy-3 -azido-5 -thymidyl) ester|{[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}[({[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid|Bis{[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methyl} dihydrogen diphosphate|Diphosphoric acid P1,P2-bis[[[(2S)-3beta-azido-5alpha-[(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin)-1-yl]tetrahydrofuran]-2alpha-yl]methyl] ester|Thymidine 5'-(trihydrogen diphosphate), 3'-azido-3'-deoxy-, P'->5'-ester with 3'-azido-3'-deoxythymidine|Thymidine 5a(2)-(trihydrogen diphosphate), 3a(2)-azido-3a(2)-deoxy-, Pa(2)a5a(2)-ester with 3a(2)-azido-3a(2)-deoxythymidine

Molecular Formula	C20H26N10O13P2
Molecular Weight	676.1156 g/mol
LogP	0.88704
Topological Polar Surface Area	327.99 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	13
Rotatable Bonds	12
Exact Mass	676.1156
Monoisotopic Mass	676.1156
Heavy Atoms	45
Complexity	1743.8142

Chemical Identifiers

CAS Number	175481-43-3
SMILES	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])N=[N+]=[N-]