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16710-13-7 | Uridine, 6-methyl-
CAS No: 16710-13-7 Catalog No: AG001X4E MDL No:
Product Description
Catalog Number:
AG001X4E
Chemical Name:
Uridine, 6-methyl-
CAS Number:
16710-13-7
Molecular Formula:
C10H14N2O6
Molecular Weight:
258.2280
IUPAC Name:
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C10H14N2O6/c1-4-2-6(14)11-10(17)12(4)9-8(16)7(15)5(3-13)18-9/h2,5,7-9,13,15-16H,3H2,1H3,(H,11,14,17)/t5-,7-,8-,9-/m1/s1
InChI Key:
SGKGZYGMLGVQHP-ZOQUXTDFSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(C)cc(=O)[nH]c1=O
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
258.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
258.23g/mol
Monoisotopic Mass:
258.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships of orotidine-5'-monophosphate decarboxylase inhibitors as anticancer agents. | Journal of medicinal chemistry 20090326 |
| Structure-activity relationships of C6-uridine derivatives targeting plasmodia orotidine monophosphate decarboxylase. | Journal of medicinal chemistry 20080214 |
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