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Home > Fluorides > 141018-22-6
141018-22-6 | Cytidine, 2',3'-dideoxy-3'-fluoro-N-(1-piperidinylmethylene)- (9CI)
CAS No: 141018-22-6 Catalog No: AG001FR2 MDL No:
Product Description
Catalog Number:
AG001FR2
Chemical Name:
Cytidine, 2',3'-dideoxy-3'-fluoro-N-(1-piperidinylmethylene)- (9CI)
CAS Number:
141018-22-6
Molecular Formula:
C15H21FN4O3
Molecular Weight:
324.3506
IUPAC Name:
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one
InChI:
InChI=1S/C15H21FN4O3/c16-11-8-14(23-12(11)9-21)20-7-4-13(18-15(20)22)17-10-19-5-2-1-3-6-19/h4,7,10-12,14,21H,1-3,5-6,8-9H2/t11-,12+,14+/m0/s1
InChI Key:
UHBHCNGYECVVJB-OUCADQQQSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1F)n1ccc(nc1=O)N=CN1CCCCC1
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
324.16g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.356g/mol
Monoisotopic Mass:
324.16g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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