HDV

9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine



Chemical Component Summary

Name9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine
SynonymsClofarabine-TRIPHOSPHATE
Identifiers[[(2~{R},3~{R},4~{S},5~{R})-5-(6-azanyl-2-methyl-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
FormulaC11 H17 F N5 O12 P3
Molecular Weight523.199
TypeNON-POLYMER
Isomeric SMILESCc1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N
InChIInChI=1S/C11H17FN5O12P3/c1-4-15-9(13)7-10(16-4)17(3-14-7)11-6(12)8(18)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3,5-6,8,11,18H,2H2,1H3,(H,22,23)(H,24,25)(H2,13,15,16)(H2,19,20,21)/t5-,6+,8-,11-/m1/s1
InChIKeyBGNIGZFVXIGOQD-WCGPTHBMSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count4
Bond Count51
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 134817788