Chemical Component Summary

Name2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL}OXY)(HYDROXY)PHOSPHORYL]GUANOSINE
Identifiers[[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid
FormulaC11 H16 F2 N5 O12 P3
Molecular Weight541.19
TypeNON-POLYMER
Isomeric SMILESNC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P@](O)(=O)O[P@](O)(=O)C(F)(F)[P](O)(O)=O)O3
InChIInChI=1S/C11H16F2N5O12P3/c12-11(13,31(21,22)23)32(24,25)30-33(26,27)28-2-5-4(19)1-6(29-5)18-3-15-7-8(18)16-10(14)17-9(7)20/h3-6,19H,1-2H2,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)/t4-,5+,6+/m0/s1
InChIKeyBLHFKUNEUAHYSE-KVQBGUIXSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count5
Bond Count51
Aromatic Bond Count5

Related Resource References

Resource NameReference
PubChem15942678
PubChem135566283