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160109-86-4 | Uridine, 2'-deoxy-5-(2,2-dichloro-1-methoxyethyl)- (9CI)
CAS No: 160109-86-4 Catalog No: AG001RO9 MDL No:
Product Description
Catalog Number:
AG001RO9
Chemical Name:
Uridine, 2'-deoxy-5-(2,2-dichloro-1-methoxyethyl)- (9CI)
CAS Number:
160109-86-4
Molecular Formula:
C12H16Cl2N2O6
Molecular Weight:
355.1712
IUPAC Name:
5-(2,2-dichloro-1-methoxyethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C12H16Cl2N2O6/c1-21-9(10(13)14)5-3-16(12(20)15-11(5)19)8-2-6(18)7(4-17)22-8/h3,6-10,17-18H,2,4H2,1H3,(H,15,19,20)/t6-,7+,8+,9?/m0/s1
InChI Key:
IAGUAHRHPOSRCK-VCWZQCKKSA-N
SMILES:
COC(c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O)C(Cl)Cl
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
354.039g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
355.168g/mol
Monoisotopic Mass:
354.039g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Synthesis of 5-[1-hydroxy (or methoxy)-2,2-dihaloethyl]-2'- deoxyuridines with antiviral and cytotoxic activity. | Antiviral research 19940801 |
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