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88154-07-8 | Uridine, 6-(acetyloxy)-5-fluoro-5,6-dihydro-, 5'-acetate
CAS No: 88154-07-8 Catalog No: AG004E69 MDL No:
Product Description
Catalog Number:
AG004E69
Chemical Name:
Uridine, 6-(acetyloxy)-5-fluoro-5,6-dihydro-, 5'-acetate
CAS Number:
88154-07-8
Molecular Formula:
C13H17FN2O9
Molecular Weight:
364.2805
IUPAC Name:
[(2R,3S,4R,5R)-5-(6-acetyloxy-5-fluoro-2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
InChI:
InChI=1S/C13H17FN2O9/c1-4(17)23-3-6-8(19)9(20)12(25-6)16-11(24-5(2)18)7(14)10(21)15-13(16)22/h6-9,11-12,19-20H,3H2,1-2H3,(H,15,21,22)/t6-,7?,8-,9-,11?,12-/m1/s1
InChI Key:
LYCDGVGSQCTTDM-LBLPQBKOSA-N
SMILES:
CC(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N1C(=O)NC(=O)C(C1OC(=O)C)F
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
364.092g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
364.282g/mol
Monoisotopic Mass:
364.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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