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Home > Fluorides > 173379-73-2
173379-73-2 | 2,4(1H,3H)-Pyrimidinedione, 1-[4-C-azido-2-deoxy-2-fluoro-β-D-arabinofuranosyl]-
CAS No: 173379-73-2 Catalog No: AG001YUL MDL No:
Product Description
Catalog Number:
AG001YUL
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[4-C-azido-2-deoxy-2-fluoro-β-D-arabinofuranosyl]-
CAS Number:
173379-73-2
Molecular Formula:
C9H10FN5O5
Molecular Weight:
287.2046
IUPAC Name:
1-[(2R,3S,4R,5R)-5-azido-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C9H10FN5O5/c10-5-6(18)9(3-16,13-14-11)20-7(5)15-2-1-4(17)12-8(15)19/h1-2,5-7,16,18H,3H2,(H,12,17,19)/t5-,6-,7+,9+/m0/s1
InChI Key:
SNWCOSVWPQSOEU-XZMZPDFPSA-N
SMILES:
[N-]=[N+]=N[C@]1(CO)O[C@H]([C@H]([C@@H]1O)F)n1ccc(=O)[nH]c1=O
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
287.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
287.207g/mol
Monoisotopic Mass:
287.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.5
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