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159430-16-7 | Phosphonic acid, [[[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)oxy]methoxy]methyl]-, monoethyl ester (9CI)
CAS No: 159430-16-7 Catalog No: AG001QOJ MDL No:
Product Description
Catalog Number:
AG001QOJ
Chemical Name:
Phosphonic acid, [[[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)oxy]methoxy]methyl]-, monoethyl ester (9CI)
CAS Number:
159430-16-7
Molecular Formula:
C9H13N5O6P-
Molecular Weight:
318.2032
IUPAC Name:
(2-amino-6-oxo-1H-purin-9-yl)oxymethoxymethyl-ethoxyphosphinic acid
InChI:
InChI=1S/C9H14N5O6P/c1-2-20-21(16,17)5-18-4-19-14-3-11-6-7(14)12-9(10)13-8(6)15/h3H,2,4-5H2,1H3,(H,16,17)(H3,10,12,13,15)
InChI Key:
VUOGUXKBFXKTQD-UHFFFAOYSA-N
SMILES:
CCOP(=O)(COCOn1cnc2c1nc(N)[nH]c2=O)[O-]
Properties
Complexity:
474
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:
3
Isotope Atom Count:
0
Molecular Weight:
319.214g/mol
Monoisotopic Mass:
319.068g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
Literature
| Title | Journal |
|---|---|
| Skin color in fish and humans: impacts on science and society. | Zebrafish 20081201 |
| Differential CD52 expression by distinct myeloid dendritic cell subsets: implications for alemtuzumab activity at the level of antigen presentation in allogeneic graft-host interactions in transplantation. | Blood 20030215 |
| Antiviral activity of 9-[[(ethoxyhydroxyphosphinyl)-methoxy]methoxy] guanine against cytomegalovirus and herpes simplex virus. | Antiviral research 19951101 |
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