Chemical Component Summary

NameN1-[(E)-4-DIHYDROXYPHOSPHONYL-BUT-2-ENYL]-THYMINE
Identifiers[(E)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)but-2-enyl]-phosphonooxy-phosphinic acid
FormulaC9 H14 N2 O8 P2
Molecular Weight340.164
TypeNON-POLYMER
Isomeric SMILESCC1=CN(C(=O)NC1=O)C\C=C\C[P@](=O)(O)OP(=O)(O)O
InChIInChI=1S/C9H14N2O8P2/c1-7-6-11(9(13)10-8(7)12)4-2-3-5-20(14,15)19-21(16,17)18/h2-3,6H,4-5H2,1H3,(H,14,15)(H,10,12,13)(H2,16,17,18)/b3-2+
InChIKeyXCVLZXXLVNRCHX-NSCUHMNNSA-N

Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count35
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 137350043