CAS 379270-35-6

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Also known as: 379270-35-6, 6f4v6f8msr, [(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphinic acid, Phenyl hydrogen ((r)-1-(6-amino-9h-purin-9-yl)propan-2-yloxy)methylphosphonate, [[(1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl]-, monophenylester, Phenyl ((((r)-1-(6-amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate

Molecular Formula

C₁₅H₁₈N₅O₄P

Molecular Weight

363.31 g/mol

InChI Key

ITAMCOCNZJPJDF-LLVKDONJSA-N

FDA UNII

6F4V6F8MSR

1 2D Structure

CAS 379270-35-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphinic acid

2.1.2 InChI

InChI=1S/C15H18N5O4P/c1-11(7-20-9-19-13-14(16)17-8-18-15(13)20)23-10-25(21,22)24-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,21,22)(H2,16,17,18)/t11-/m1/s1

2.1.3 InChI Key

ITAMCOCNZJPJDF-LLVKDONJSA-N

2.1.4 Canonical SMILES

CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OC3=CC=CC=C3

2.1.5 Isomeric SMILES

C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OC3=CC=CC=C3

2.2 Other Identifiers

2.2.1 UNII

6F4V6F8MSR

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 379270-35-6

2. 6f4v6f8msr

3. [(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphinic Acid

4. Phenyl Hydrogen ((r)-1-(6-amino-9h-purin-9-yl)propan-2-yloxy)methylphosphonate

5. [[(1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl]-, Monophenylester

6. Phenyl ((((r)-1-(6-amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate

7. Tqp0857

8. Phosphonic Acid, (((1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy)methyl)-, Monophenyl Ester

9. Phosphonic Acid, [[(1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl]-, Monophenyl Ester

10. Unii-6f4v6f8msr

11. Schembl13155602

12. Schembl19370730

13. Dtxsid701120985

14. Amy11132

15. Mfcd28386144

16. Akos030528681

17. Zinc202529174

18. Cs-w004381

19. Tenofovir Monophenyl Ester Impurity

20. Ec 807-851-4

21. H11583

22. Phenyl Hydrogen [(r)-1-(6-amino-9h-purin-9-yl)propan-2-yloxy]methyl Phosphonate

23. Phenyl Hydrogen((r)-1-(6-amino-9h-purin-9-yl)propan-2-yloxy)methylphosphonate

24. Phenylhydrogen((((r)-1-(6-amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate

25. Phosphonic Acid, [[(1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl]-, Monophenyl Ester (9ci)

2.4 Create Date

2012-08-20

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₈N₅O₄P
Molecular Weight	363.31 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	363.10964107 g/mol
Monoisotopic Mass	363.10964107 g/mol
Topological Polar Surface Area	125 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	479
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1