200,000+ products from a single source!
sales@angenechem.com
122654-31-3 | Adenosine, 2-chloro-3'-deoxy-3'-fluoro-N-methyl- (9CI)
CAS No: 122654-31-3 Catalog No: AG0017KR MDL No:
Product Description
Catalog Number:
AG0017KR
Chemical Name:
Adenosine, 2-chloro-3'-deoxy-3'-fluoro-N-methyl- (9CI)
CAS Number:
122654-31-3
Molecular Formula:
C11H13ClFN5O3
Molecular Weight:
317.7040
IUPAC Name:
(2R,3S,4S,5R)-2-[2-chloro-6-(methylamino)purin-9-yl]-4-fluoro-5-(hydroxymethyl)oxolan-3-ol
InChI:
InChI=1S/C11H13ClFN5O3/c1-14-8-6-9(17-11(12)16-8)18(3-15-6)10-7(20)5(13)4(2-19)21-10/h3-5,7,10,19-20H,2H2,1H3,(H,14,16,17)/t4-,5-,7-,10-/m1/s1
InChI Key:
DUOQYMIAHQYRQT-QYYRPYCUSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1F)O)n1cnc2c1nc(Cl)nc2NC
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
317.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
317.705g/mol
Monoisotopic Mass:
317.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.