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122654-30-2 | Adenosine, 2-chloro-3'-deoxy-3'-fluoro-
CAS No: 122654-30-2 Catalog No: AG0017KS MDL No:
Product Description
Catalog Number:
AG0017KS
Chemical Name:
Adenosine, 2-chloro-3'-deoxy-3'-fluoro-
CAS Number:
122654-30-2
Molecular Formula:
C10H11ClFN5O3
Molecular Weight:
303.6774
IUPAC Name:
(2R,3S,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol
InChI:
InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-6(19)4(12)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4-,6-,9-/m1/s1
InChI Key:
IRHXEJNSFOBHLE-DXTOWSMRSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1F)O)n1cnc2c1nc(Cl)nc2N
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
303.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
303.678g/mol
Monoisotopic Mass:
303.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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