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Home > Fluorides > 113941-27-8
113941-27-8 | Adenosine, 3',5'-dideoxy-3',5'-difluoro- (9CI)
CAS No: 113941-27-8 Catalog No: AG000A4N MDL No:
Product Description
Catalog Number:
AG000A4N
Chemical Name:
Adenosine, 3',5'-dideoxy-3',5'-difluoro- (9CI)
CAS Number:
113941-27-8
Molecular Formula:
C10H11F2N5O2
Molecular Weight:
271.2234
IUPAC Name:
2-(6-aminopurin-9-yl)-4-fluoro-5-(fluoromethyl)oxolan-3-ol
InChI:
InChI=1S/C10H11F2N5O2/c11-1-4-5(12)7(18)10(19-4)17-3-16-6-8(13)14-2-15-9(6)17/h2-5,7,10,18H,1H2,(H2,13,14,15)
InChI Key:
IGOQSZPNPNKFDW-UHFFFAOYSA-N
SMILES:
FC[C@H]1O[C@H]([C@@H]([C@@H]1F)O)n1cnc2c1ncnc2N
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.228g/mol
Monoisotopic Mass:
271.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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