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97975-04-7 | 1-(4-HYDROXY-5-IODOMETHYL-TETRAHYDRO-FURAN-2-YL)-5-(2-IODO-ETHYL)-1H-PYRIMIDINE-2,4-DIONE
CAS No: 97975-04-7 Catalog No: AG005X1A MDL No:
Product Description
Catalog Number:
AG005X1A
Chemical Name:
1-(4-HYDROXY-5-IODOMETHYL-TETRAHYDRO-FURAN-2-YL)-5-(2-IODO-ETHYL)-1H-PYRIMIDINE-2,4-DIONE
CAS Number:
97975-04-7
Molecular Formula:
C11H14I2N2O4
Molecular Weight:
492.0488
IUPAC Name:
1-[4-hydroxy-5-(iodomethyl)oxolan-2-yl]-5-(2-iodoethyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C11H14I2N2O4/c12-2-1-6-5-15(11(18)14-10(6)17)9-3-7(16)8(4-13)19-9/h5,7-9,16H,1-4H2,(H,14,17,18)
InChI Key:
CSUUJNBBJWBVPB-UHFFFAOYSA-N
SMILES:
ICCc1cn(C2OC(C(C2)O)CI)c(=O)[nH]c1=O
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.904g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
492.052g/mol
Monoisotopic Mass:
491.904g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| 5-(Haloalkyl)-2'-deoxyuridines: a novel type of potent antiviral nucleoside analogue. | Journal of medicinal chemistry 19851101 |
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