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Home > Fluorides > 136834-20-3
136834-20-3 | Adenosine, N-benzoyl-2'-deoxy-2'-fluoro-
CAS No: 136834-20-3 Catalog No: AG0012FE MDL No:MFCD22373350
Product Description
Catalog Number:
AG0012FE
Chemical Name:
Adenosine, N-benzoyl-2'-deoxy-2'-fluoro-
CAS Number:
136834-20-3
Molecular Formula:
C17H16FN5O4
Molecular Weight:
373.3384
MDL Number:
MFCD22373350
IUPAC Name:
N-[9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
InChI:
InChI=1S/C17H16FN5O4/c18-11-13(25)10(6-24)27-17(11)23-8-21-12-14(19-7-20-15(12)23)22-16(26)9-4-2-1-3-5-9/h1-5,7-8,10-11,13,17,24-25H,6H2,(H,19,20,22,26)/t10-,11-,13-,17-/m1/s1
InChI Key:
HLJZTLWDAQVZBU-YAMOITTJSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)F)n1cnc2c1ncnc2NC(=O)c1ccccc1
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
373.119g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
373.344g/mol
Monoisotopic Mass:
373.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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