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Home > Fluorides > 122712-71-4
122712-71-4 | Adenosine, N-benzoyl-2',3'-dideoxy-3'-fluoro- (9CI)
CAS No: 122712-71-4 Catalog No: AG000J0T MDL No:
Product Description
Catalog Number:
AG000J0T
Chemical Name:
Adenosine, N-benzoyl-2',3'-dideoxy-3'-fluoro- (9CI)
CAS Number:
122712-71-4
Molecular Formula:
C17H16FN5O3
Molecular Weight:
357.3390
IUPAC Name:
N-[9-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
InChI:
InChI=1S/C17H16FN5O3/c18-11-6-13(26-12(11)7-24)23-9-21-14-15(19-8-20-16(14)23)22-17(25)10-4-2-1-3-5-10/h1-5,8-9,11-13,24H,6-7H2,(H,19,20,22,25)
InChI Key:
RWKXHBQARYLBBO-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1F)n1cnc2c1ncnc2NC(=O)c1ccccc1
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.124g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.345g/mol
Monoisotopic Mass:
357.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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