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13040-01-2 | Uridine,2',3'-dideoxy-3'-iodo- (7CI,8CI,9CI)
CAS No: 13040-01-2 Catalog No: AG00719R MDL No:
Product Description
Catalog Number:
AG00719R
Chemical Name:
Uridine,2',3'-dideoxy-3'-iodo- (7CI,8CI,9CI)
CAS Number:
13040-01-2
Molecular Formula:
C9H11IN2O4
Molecular Weight:
338.0991
IUPAC Name:
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-iodooxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C9H11IN2O4/c10-5-3-8(16-6(5)4-13)12-2-1-7(14)11-9(12)15/h1-2,5-6,8,13H,3-4H2,(H,11,14,15)/t5-,6+,8+/m0/s1
InChI Key:
HPCFWQGGUBDFHS-SHYZEUOFSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1I)n1ccc(=O)[nH]c1=O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
337.976g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.101g/mol
Monoisotopic Mass:
337.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships of pyrimidine nucleosides as antiviral agents for human immunodeficiency virus type 1 in peripheral blood mononuclear cells. | Journal of medicinal chemistry 19890301 |
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