4BD

5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]thymidine


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Chemical Component Summary

Name5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]thymidine
Identifiers[difluoro-(hydroxy-phosphonooxy-phosphoryl)methyl]-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
FormulaC11 H17 F2 N2 O13 P3
Molecular Weight516.176
TypeNON-POLYMER
Isomeric SMILESCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O
InChIInChI=1S/C11H17F2N2O13P3/c1-5-3-15(10(18)14-9(5)17)8-2-6(16)7(27-8)4-26-29(19,20)11(12,13)30(21,22)28-31(23,24)25/h3,6-8,16H,2,4H2,1H3,(H,19,20)(H,21,22)(H,14,17,18)(H2,23,24,25)/t6-,7+,8+/m0/s1
InChIKeyWQZXQECPJNOPSV-XLPZGREQSA-N

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count5
Bond Count49
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 15667209