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127911-92-6 | Uridine, 2'-deoxy-5-(2-iodo-1-methoxyethyl)- (9CI)
CAS No: 127911-92-6 Catalog No: AG000XKT MDL No:
Product Description
Catalog Number:
AG000XKT
Chemical Name:
Uridine, 2'-deoxy-5-(2-iodo-1-methoxyethyl)- (9CI)
CAS Number:
127911-92-6
Molecular Formula:
C12H17IN2O6
Molecular Weight:
412.1776
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-iodo-1-methoxyethyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C12H17IN2O6/c1-20-8(3-13)6-4-15(12(19)14-11(6)18)10-2-7(17)9(5-16)21-10/h4,7-10,16-17H,2-3,5H2,1H3,(H,14,18,19)/t7-,8?,9+,10+/m0/s1
InChI Key:
GOBHCHXDANJDHX-NKSXPTFNSA-N
SMILES:
COC(c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O)CI
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
412.013g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
412.18g/mol
Monoisotopic Mass:
412.013g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of novel 5-(1-cyanamido-2-haloethyl) and 5-(1-hydroxy(or methoxy)-2-azidoethyl) analogues of uracil nucleosides. | Journal of medicinal chemistry 20011011 |
| Synthesis and antiviral and cytotoxic activity of iodohydrin and iodomethoxy derivatives of 5-vinyl-2'-deoxyuridines, 2'-fluoro-2'-deoxyuridine, and uridine. | Journal of medicinal chemistry 19900201 |
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