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78097-08-2 | 2,4(1H,3H)-Pyrimidinedione, 1-[[2-(acetyloxy)ethoxy]methyl]-5-iodo-
CAS No: 78097-08-2 Catalog No: AG005DML MDL No:
Product Description
Catalog Number:
AG005DML
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[[2-(acetyloxy)ethoxy]methyl]-5-iodo-
CAS Number:
78097-08-2
Molecular Formula:
C9H11IN2O5
Molecular Weight:
354.0985
IUPAC Name:
2-[(5-iodo-2,4-dioxopyrimidin-1-yl)methoxy]ethyl acetate
InChI:
InChI=1S/C9H11IN2O5/c1-6(13)17-3-2-16-5-12-4-7(10)8(14)11-9(12)15/h4H,2-3,5H2,1H3,(H,11,14,15)
InChI Key:
PQMMBDHYPCKLIQ-UHFFFAOYSA-N
SMILES:
CC(=O)OCCOCn1cc(I)c(=O)[nH]c1=O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.971g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.1g/mol
Monoisotopic Mass:
353.971g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Pyrimidine acyclic nucleosides, 1-[(2-Hydroxyethoxy)methyl]pyrimidines as candidate antivirals. | Journal of medicinal chemistry 19810601 |
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