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129075-39-4 | Uridine, 5'-amino-3',5'-dideoxy-3'-fluoro- (9CI)
CAS No: 129075-39-4 Catalog No: AG000YTA MDL No:
Product Description
Catalog Number:
AG000YTA
Chemical Name:
Uridine, 5'-amino-3',5'-dideoxy-3'-fluoro- (9CI)
CAS Number:
129075-39-4
Molecular Formula:
C9H12FN3O4
Molecular Weight:
245.2077
IUPAC Name:
1-[(2R,3S,4S,5R)-5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C9H12FN3O4/c10-6-4(3-11)17-8(7(6)15)13-2-1-5(14)12-9(13)16/h1-2,4,6-8,15H,3,11H2,(H,12,14,16)/t4-,6-,7-,8-/m1/s1
InChI Key:
RRILDHLVUPYCCN-XVFCMESISA-N
SMILES:
NC[C@H]1O[C@H]([C@@H]([C@@H]1F)O)n1ccc(=O)[nH]c1=O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
245.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.21g/mol
Monoisotopic Mass:
245.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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