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Home > Fluorides > 146954-76-9
146954-76-9 | Cytidine, N-benzoyl-2'-deoxy-2'-fluoro-
CAS No: 146954-76-9 Catalog No: AG001EHD MDL No:
Product Description
Catalog Number:
AG001EHD
Chemical Name:
Cytidine, N-benzoyl-2'-deoxy-2'-fluoro-
CAS Number:
146954-76-9
Molecular Formula:
C16H16FN3O5
Molecular Weight:
349.3137
IUPAC Name:
N-[1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
InChI:
InChI=1S/C16H16FN3O5/c17-12-13(22)10(8-21)25-15(12)20-7-6-11(19-16(20)24)18-14(23)9-4-2-1-3-5-9/h1-7,10,12-13,15,21-22H,8H2,(H,18,19,23,24)/t10-,12-,13-,15-/m1/s1
InChI Key:
RHCOKFXBQWNMHE-BPGGGUHBSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)F)n1ccc(nc1=O)NC(=O)c1ccccc1
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
349.107g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
349.318g/mol
Monoisotopic Mass:
349.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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