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122929-22-0 | Uridine, 2',3'-dideoxy-2'-fluoro-
CAS No: 122929-22-0 Catalog No: AG000JSM MDL No:
Product Description
Catalog Number:
AG000JSM
Chemical Name:
Uridine, 2',3'-dideoxy-2'-fluoro-
CAS Number:
122929-22-0
Molecular Formula:
C9H11FN2O4
Molecular Weight:
230.1930
IUPAC Name:
1-[(2R,3R,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C9H11FN2O4/c10-6-3-5(4-13)16-8(6)12-2-1-7(14)11-9(12)15/h1-2,5-6,8,13H,3-4H2,(H,11,14,15)/t5-,6+,8+/m0/s1
InChI Key:
YTLACGJEZOUGQP-SHYZEUOFSA-N
SMILES:
OC[C@@H]1C[C@H]([C@@H](O1)n1ccc(=O)[nH]c1=O)F
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
230.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.195g/mol
Monoisotopic Mass:
230.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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