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147127-19-3 | Phosphonic acid, P-[[(1S)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-
CAS No: 147127-19-3 Catalog No: AG001EMJ MDL No:MFCD21604708
Product Description
Catalog Number:
AG001EMJ
Chemical Name:
Phosphonic acid, P-[[(1S)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-
CAS Number:
147127-19-3
Molecular Formula:
C9H14N5O4P
Molecular Weight:
287.2123
MDL Number:
MFCD21604708
IUPAC Name:
[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
InChI:
InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m0/s1
InChI Key:
SGOIRFVFHAKUTI-LURJTMIESA-N
SMILES:
C[C@@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
287.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
287.216g/mol
Monoisotopic Mass:
287.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
Literature
| Title | Journal |
|---|---|
| A phenyl-thiadiazolylidene-amine derivative ejects zinc from retroviral nucleocapsid zinc fingers and inactivates HIV virions. | Retrovirology 20120101 |
| Activity of the (R)-enantiomers of 9-(2-phosphonylmethoxypropyl)-adenine and 9-(2-phosphonylmethoxypropyl)-2,6-diaminopurine against human immunodeficiency virus in different human cell systems. | Biochemical and biophysical research communications 19960215 |
| Differential antiherpesvirus and antiretrovirus effects of the (S) and (R) enantiomers of acyclic nucleoside phosphonates: potent and selective in vitro and in vivo antiretrovirus activities of (R)-9-(2-phosphonomethoxypropyl)-2,6-diaminopurine. | Antimicrobial agents and chemotherapy 19930201 |
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