HFD

2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine


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Chemical Component Summary

Name2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine
SynonymsFludarabine-TRIPHOSPHATE
Identifiers[[(2~{R},3~{S},4~{S},5~{R})-5-(6-azanyl-2-fluoranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
FormulaC10 H15 F N5 O13 P3
Molecular Weight525.171
TypeNON-POLYMER
Isomeric SMILESc1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N
InChIInChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1
InChIKeyPIOKUWLZUXUBCO-FJFJXFQQSA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count4
Bond Count49
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 22842095