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87412-13-3 | Uridine, 2',3'-dideoxy-3',5-difluoro-, 5'-acetate
CAS No: 87412-13-3 Catalog No: AG004GEO MDL No:
Product Description
Catalog Number:
AG004GEO
Chemical Name:
Uridine, 2',3'-dideoxy-3',5-difluoro-, 5'-acetate
CAS Number:
87412-13-3
Molecular Formula:
C11H12F2N2O5
Molecular Weight:
290.2202
IUPAC Name:
[(2R,3S,5R)-3-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
InChI:
InChI=1S/C11H12F2N2O5/c1-5(16)19-4-8-6(12)2-9(20-8)15-3-7(13)10(17)14-11(15)18/h3,6,8-9H,2,4H2,1H3,(H,14,17,18)/t6-,8+,9+/m0/s1
InChI Key:
NBGDHEOMZSSLDC-NBEYISGCSA-N
SMILES:
CC(=O)OC[C@H]1O[C@H](C[C@@H]1F)n1cc(F)c(=O)[nH]c1=O
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
290.071g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.223g/mol
Monoisotopic Mass:
290.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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