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127094-68-2 | Adenosine, 2-chloro-2',3'-dideoxy-2'-fluoro- (9CI)
CAS No: 127094-68-2 Catalog No: AG000WNY MDL No:
Product Description
Catalog Number:
AG000WNY
Chemical Name:
Adenosine, 2-chloro-2',3'-dideoxy-2'-fluoro- (9CI)
CAS Number:
127094-68-2
Molecular Formula:
C10H11ClFN5O2
Molecular Weight:
287.6780
IUPAC Name:
[5-(6-amino-2-chloropurin-9-yl)-4-fluorooxolan-2-yl]methanol
InChI:
InChI=1S/C10H11ClFN5O2/c11-10-15-7(13)6-8(16-10)17(3-14-6)9-5(12)1-4(2-18)19-9/h3-5,9,18H,1-2H2,(H2,13,15,16)
InChI Key:
APRYMKOCSLIRMK-UHFFFAOYSA-N
SMILES:
OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1nc(Cl)nc2N)F
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.679g/mol
Monoisotopic Mass:
287.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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