AFH

ADENOSINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO HEPTOSE


Toggle HydrogenToggle Labels

Chemical Component Summary

NameADENOSINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO HEPTOSE
Synonyms[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2S,3R,4S,5S,6R)-6-[(1S)-1,2-DIHYDROXYETHYL]-3-FLUORO-4,5-DIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL DIHYDROGEN DIPHOSPHATE
Identifiers[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2S,3R,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-fluoro-4,5-dihydroxy-oxan-2-yl]oxy-hydroxy-phosphoryl] hydrogen phosphate
FormulaC17 H26 F N5 O15 P2
Molecular Weight621.359
TypeNON-POLYMER
Isomeric SMILESc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)F)O)O)N
InChIInChI=1S/C17H26FN5O15P2/c18-7-10(27)11(28)13(5(25)1-24)36-17(7)37-40(32,33)38-39(30,31)34-2-6-9(26)12(29)16(35-6)23-4-22-8-14(19)20-3-21-15(8)23/h3-7,9-13,16-17,24-29H,1-2H2,(H,30,31)(H,32,33)(H2,19,20,21)/t5-,6+,7+,9+,10+,11-,12+,13+,16+,17-/m0/s1
InChIKeySUPCMUQXGKOKIM-FJBXLJLUSA-N

Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count12
Bond Count69
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 11527397