200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 129531-96-0
129531-96-0 | Cytidine, 2'-deoxy-5-fluoro-2'-methylene- (9CI)
CAS No: 129531-96-0 Catalog No: AG000Z78 MDL No:
Product Description
Catalog Number:
AG000Z78
Chemical Name:
Cytidine, 2'-deoxy-5-fluoro-2'-methylene- (9CI)
CAS Number:
129531-96-0
Molecular Formula:
C10H12FN3O4
Molecular Weight:
257.2184
IUPAC Name:
4-amino-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C10H12FN3O4/c1-4-7(16)6(3-15)18-9(4)14-2-5(11)8(12)13-10(14)17/h2,6-7,9,15-16H,1,3H2,(H2,12,13,17)/t6-,7+,9-/m1/s1
InChI Key:
CBFZRLQZSOMINR-BKPPORCPSA-N
SMILES:
OC[C@H]1O[C@H](C(=C)[C@@H]1O)n1cc(F)c(nc1=O)N
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
257.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.221g/mol
Monoisotopic Mass:
257.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and anticancer and antiviral activities of various 2'- and 3'-methylidene-substituted nucleoside analogues and crystal structure of 2'-deoxy-2'-methylidenecytidine hydrochloride. | Journal of medicinal chemistry 19910801 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.