TNV

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

Created:	2004-04-21
Last modified:	2021-03-01

Find Related PDB Entry
3 entries where TNV is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	3
Bond Count	44
Aromatic Bond Count	10

2D diagram of TNV

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-TRIPHOSPHATE
Synonyms	TENOFOVIR-DIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphinic acid
Formula	C₉ H₁₆ N₅ O₁₀ P₃
Molecular Weight	447.172
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.341	C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(Cn1cnc2c1ncnc2N)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	C[C@H](Cn1cnc2c(N)ncnc12)OC[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O
InChI	InChI	1.03	InChI=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
InChIKey	InChI	1.03	IACQCQDWSIQSRP-ZCFIWIBFSA-N

Related Resource References

Resource Name	Reference
PubChem	5481180
ChEMBL	CHEMBL1236349

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.