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113852-36-1 | Phosphonic acid, P-[[2-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl]-
CAS No: 113852-36-1 Catalog No: AG0009XV MDL No:
Product Description
Catalog Number:
AG0009XV
Chemical Name:
Phosphonic acid, P-[[2-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl]-
CAS Number:
113852-36-1
Molecular Formula:
C9H14N5O6P
Molecular Weight:
319.2111
IUPAC Name:
[1-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
InChI:
InChI=1S/C9H14N5O6P/c10-9-12-7-6(8(16)13-9)11-3-14(7)1-5(2-15)20-4-21(17,18)19/h3,5,15H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)
InChI Key:
VXDNQJCXIVLMQW-UHFFFAOYSA-N
SMILES:
OCC(Cn1cnc2c1nc(N)[nH]c2=O)OCP(=O)(O)O
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
319.214g/mol
Monoisotopic Mass:
319.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
Literature
| Title | Journal |
|---|---|
| The effect of novel [3-fluoro-(2-phosphonoethoxy)propyl]purines on the inhibition of Plasmodium falciparum, Plasmodium vivax and human hypoxanthine-guanine-(xanthine) phosphoribosyltransferases. | European journal of medicinal chemistry 20130901 |
| Antiviral evaluation of octadecyloxyethyl esters of (S)-3-hydroxy-2-(phosphonomethoxy)propyl nucleosides against herpesviruses and orthopoxviruses. | Antiviral research 20091201 |
| Antivaccinia activities of acyclic nucleoside phosphonate derivatives in epithelial cells and organotypic cultures. | Antimicrobial agents and chemotherapy 20021101 |
| Cidofovir in the treatment of poxvirus infections. | Antiviral research 20020701 |
| Antiviral activities of nucleosides and nucleotides against wild-type and drug-resistant strains of murine cytomegalovirus. | Antiviral research 19950101 |
| 9-[(2RS)-3-fluoro-2-phosphonylmethoxypropyl] derivatives of purines: a class of highly selective antiretroviral agents in vitro and in vivo. | Proceedings of the National Academy of Sciences of the United States of America 19910601 |
| Acyclic nucleotide analogues: synthesis, antiviral activity and inhibitory effects on some cellular and virus-encoded enzymes in vitro. | Antiviral research 19900601 |
| Broad-spectrum antiviral activity of the acyclic guanosine phosphonate (R,S)-HPMPG. | Antiviral research 19881201 |
| (S)-1-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine, a potent and selective inhibitor of human cytomegalovirus replication. | Antimicrobial agents and chemotherapy 19881201 |
| Phosphonylmethoxyethyl purine derivatives, a new class of anti-human immunodeficiency virus agents. | Antimicrobial agents and chemotherapy 19880701 |
| Antiviral activity of phosphonylmethoxyalkyl derivatives of purine and pyrimidines. | Antiviral research 19871201 |
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