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77875-99-1 | Uridine, 2'-deoxy-5-(3-hydroxy-1-propynyl)-
CAS No: 77875-99-1 Catalog No: AG005EQT MDL No:
Product Description
Catalog Number:
AG005EQT
Chemical Name:
Uridine, 2'-deoxy-5-(3-hydroxy-1-propynyl)-
CAS Number:
77875-99-1
Molecular Formula:
C12H14N2O6
Molecular Weight:
282.2494
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C12H14N2O6/c15-3-1-2-7-5-14(12(19)13-11(7)18)10-4-8(17)9(6-16)20-10/h5,8-10,15-17H,3-4,6H2,(H,13,18,19)/t8-,9+,10+/m0/s1
InChI Key:
OZFVVNYCZRZMDG-IVZWLZJFSA-N
SMILES:
OCC#Cc1cn([C@@H]2O[C@@H]([C@H](C2)O)CO)c(=O)[nH]c1=O
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
282.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
282.252g/mol
Monoisotopic Mass:
282.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
Literature
| Title | Journal |
|---|---|
| Nucleic acid related compounds. 40. Synthesis and biological activities of 5-alkynyluracil nucleosides. | Journal of medicinal chemistry 19830501 |
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