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Home > Fluorides > 114333-22-1
114333-22-1 | 5'-Uridylic acid, 2'-deoxy-5-fluoro-, 4-oxime (9CI)
CAS No: 114333-22-1 Catalog No: AG000B4K MDL No:
Product Description
Catalog Number:
AG000B4K
Chemical Name:
5'-Uridylic acid, 2'-deoxy-5-fluoro-, 4-oxime (9CI)
CAS Number:
114333-22-1
Molecular Formula:
C9H13FN3O8P
Molecular Weight:
341.1870
IUPAC Name:
[(2R,3S,5R)-5-[5-fluoro-4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium
InChI:
InChI=1S/C9H10FN3O7P/c10-4-2-13(9(15)11-8(4)12-16)7-1-5(14)6(20-7)3-19-21(17)18/h2,5-7,14H,1,3H2,(H-2,11,12,15,16,17,18)/q-1/p+2/t5-,6+,7+/m0/s1
InChI Key:
JXIUCJDQFFYDOC-RRKCRQDMSA-P
SMILES:
ON=c1[nH]c(=O)n(cc1F)[C@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)O
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
324.04g/mol
Formal Charge:
1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
324.181g/mol
Monoisotopic Mass:
324.04g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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