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179817-95-9 | Uridine, 2'-O-methyl-5-(1-propynyl)- (9CI)
CAS No: 179817-95-9 Catalog No: AG0027AA MDL No:
Product Description
Catalog Number:
AG0027AA
Chemical Name:
Uridine, 2'-O-methyl-5-(1-propynyl)- (9CI)
CAS Number:
179817-95-9
Molecular Formula:
C13H16N2O6
Molecular Weight:
296.2759
IUPAC Name:
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-prop-1-ynylpyrimidine-2,4-dione
InChI:
InChI=1S/C13H16N2O6/c1-3-4-7-5-15(13(19)14-11(7)18)12-10(20-2)9(17)8(6-16)21-12/h5,8-10,12,16-17H,6H2,1-2H3,(H,14,18,19)/t8-,9-,10-,12-/m1/s1
InChI Key:
KPJZKNCZUWDUIF-DNRKLUKYSA-N
SMILES:
CO[C@@H]1[C@H](O)[C@H](O[C@H]1n1cc(C#CC)c(=O)[nH]c1=O)CO
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
296.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
296.279g/mol
Monoisotopic Mass:
296.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Literature
| Title | Journal |
|---|---|
| Selectivity and affinity of DNA triplex forming oligonucleotides containing the nucleoside analogues 2'-O-methyl-5-(3-amino-1-propynyl)uridine and 2'-O-methyl-5-propynyluridine. | Organic & biomolecular chemistry 20081121 |
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