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119422-63-8 | Uridine, 2',5'-dideoxy-5'-[[(2,6-dichlorophenyl)acetyl]amino]-5-ethyl- (9CI)
CAS No: 119422-63-8 Catalog No: AG000IQT MDL No:
Product Description
Catalog Number:
AG000IQT
Chemical Name:
Uridine, 2',5'-dideoxy-5'-[[(2,6-dichlorophenyl)acetyl]amino]-5-ethyl- (9CI)
CAS Number:
119422-63-8
Molecular Formula:
C19H21Cl2N3O5
Molecular Weight:
442.2931
IUPAC Name:
2-(2,6-dichlorophenyl)-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]acetamide
InChI:
InChI=1S/C19H21Cl2N3O5/c1-2-10-9-24(19(28)23-18(10)27)17-7-14(25)15(29-17)8-22-16(26)6-11-12(20)4-3-5-13(11)21/h3-5,9,14-15,17,25H,2,6-8H2,1H3,(H,22,26)(H,23,27,28)/t14-,15+,17+/m0/s1
InChI Key:
LHNJVLCNUNPYQF-ZMSDIMECSA-N
SMILES:
CCc1cn([C@H]2C[C@@H]([C@H](O2)CNC(=O)Cc2c(Cl)cccc2Cl)O)c(=O)[nH]c1=O
Properties
Complexity:
679
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
441.086g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
442.293g/mol
Monoisotopic Mass:
441.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Nucleoside analogues as highly potent and selective inhibitors of herpes simplex virus thymidine kinase. | Bioorganic & medicinal chemistry letters 20010709 |
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