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Home > Fluorides > 178374-44-2
178374-44-2 | 2,4(1H,3H)-Pyrimidinedione, 1-(2,3-dideoxy-3-fluoro-α-D-erythro-pentofuranosyl)-
CAS No: 178374-44-2 Catalog No: AG0025ZI MDL No:MFCD04114309
Product Description
Catalog Number:
AG0025ZI
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(2,3-dideoxy-3-fluoro-α-D-erythro-pentofuranosyl)-
CAS Number:
178374-44-2
Molecular Formula:
C9H11FN2O4
Molecular Weight:
230.1930
MDL Number:
MFCD04114309
IUPAC Name:
1-[(2S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C9H11FN2O4/c10-5-3-8(16-6(5)4-13)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:
BKIUEHLYJFLWPK-BBVRLYRLSA-N
SMILES:
OC[C@H]1O[C@@H](C[C@@H]1F)n1ccc(=O)[nH]c1=O
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:
-0.5
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