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116558-95-3 | Phosphonic acid, P-[[(1S)-2-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl]-
CAS No: 116558-95-3 Catalog No: AG000CS7 MDL No:
Product Description
Catalog Number:
AG000CS7
Chemical Name:
Phosphonic acid, P-[[(1S)-2-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl]-
CAS Number:
116558-95-3
Molecular Formula:
C9H14N5O6P
Molecular Weight:
319.2111
IUPAC Name:
[(2S)-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)/t5-/m0/s1
InChI Key:
VXDNQJCXIVLMQW-YFKPBYRVSA-N
SMILES:
OC[C@H](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:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
Literature
| Title | Journal |
|---|---|
| Antivaccinia activities of acyclic nucleoside phosphonate derivatives in epithelial cells and organotypic cultures. | Antimicrobial agents and chemotherapy 20021101 |
| Antiviral activity of selected acyclic nucleoside analogues against human herpesvirus 6. | Antiviral research 19951201 |
| Synthesis and antiviral activity of 2'-substituted 9-[2-(phosphonomethoxy)ethyl]guanine analogues. | Journal of medicinal chemistry 19930917 |
| 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 |
| Synthesis and antiviral activity of methyl derivatives of 9-[2-(phosphonomethoxy)ethyl]guanine. | Journal of medicinal chemistry 19920807 |
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