TNV

[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-TRIPHOSPHATE


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Chemical Component Summary

Name[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-TRIPHOSPHATE
SynonymsTENOFOVIR-DIPHOSPHATE
Identifiers[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphinic acid
FormulaC9 H16 N5 O10 P3
Molecular Weight447.172
TypeNON-POLYMER
Isomeric SMILESC[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O
InChIInChI=1S/C9H16N5O10P3/c1-6(2-14-4-13-7-8(10)11-3-12-9(7)14)22-5-25(15,16)23-27(20,21)24-26(17,18)19/h3-4,6H,2,5H2,1H3,(H,15,16)(H,20,21)(H2,10,11,12)(H2,17,18,19)/t6-/m1/s1
InChIKeyIACQCQDWSIQSRP-ZCFIWIBFSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count3
Bond Count44
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 5481180
ChEMBL CHEMBL1236349