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117174-29-5 | Adenosine, 2',3'-dideoxy-, 5'-benzoate
CAS No: 117174-29-5 Catalog No: AG000DUZ MDL No:
Product Description
Catalog Number:
AG000DUZ
Chemical Name:
Adenosine, 2',3'-dideoxy-, 5'-benzoate
CAS Number:
117174-29-5
Molecular Formula:
C17H17N5O3
Molecular Weight:
339.3486
IUPAC Name:
[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl benzoate
InChI:
InChI=1S/C17H17N5O3/c18-15-14-16(20-9-19-15)22(10-21-14)13-7-6-12(25-13)8-24-17(23)11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2,(H2,18,19,20)
InChI Key:
HNESBGWMHRLOIO-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OC[C@@H]1CC[C@@H](O1)n1cnc2c1ncnc2N
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.133g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.355g/mol
Monoisotopic Mass:
339.133g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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