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113852-38-3 | Phosphonic acid, P-[[(1S)-2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-
CAS No: 113852-38-3 Catalog No: AG0009XU MDL No:
Product Description
Catalog Number:
AG0009XU
Chemical Name:
Phosphonic acid, P-[[(1S)-2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-
CAS Number:
113852-38-3
Molecular Formula:
C9H15N2O7P
Molecular Weight:
294.1984
IUPAC Name:
[(2S)-1-hydroxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxymethylphosphonic acid
InChI:
InChI=1S/C9H15N2O7P/c1-6-2-11(9(14)10-8(6)13)3-7(4-12)18-5-19(15,16)17/h2,7,12H,3-5H2,1H3,(H,10,13,14)(H2,15,16,17)/t7-/m0/s1
InChI Key:
NXSCESRMUVPASQ-ZETCQYMHSA-N
SMILES:
OC[C@H](Cn1cc(C)c(=O)[nH]c1=O)OCP(=O)(O)O
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
294.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
294.2g/mol
Monoisotopic Mass:
294.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
Literature
| Title | Journal |
|---|---|
| Fluorophosphonylated nucleoside derivatives as new series of thymidine phosphorylase multisubstrate inhibitors. | Journal of medicinal chemistry 20120322 |
| Cidofovir in the treatment of poxvirus infections. | Antiviral research 20020701 |
| (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 |
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