Chemical Component Summary

Name4'-ethylthymidine 5'-(tetrahydrogen triphosphate)
Identifiers[[(2R,3S,5R)-2-ethyl-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
FormulaC12 H21 N2 O14 P3
Molecular Weight510.221
TypeNON-POLYMER
Isomeric SMILESCC[C@]1([C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O
InChIInChI=1S/C12H21N2O14P3/c1-3-12(6-25-30(21,22)28-31(23,24)27-29(18,19)20)8(15)4-9(26-12)14-5-7(2)10(16)13-11(14)17/h5,8-9,15H,3-4,6H2,1-2H3,(H,21,22)(H,23,24)(H,13,16,17)(H2,18,19,20)/t8-,9+,12+/m0/s1
InChIKeyRICQFQMPHJAPNN-YGOYTEALSA-N

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count3
Bond Count53
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 46224515