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Home > Pyridines > 101565-96-2
101565-96-2 | Adenosine, N-(3-pyridinylmethyl)-
CAS No: 101565-96-2 Catalog No: AG0004TZ MDL No:
Product Description
Catalog Number:
AG0004TZ
Chemical Name:
Adenosine, N-(3-pyridinylmethyl)-
CAS Number:
101565-96-2
Molecular Formula:
C16H18N6O4
Molecular Weight:
358.3519
IUPAC Name:
2-(hydroxymethyl)-5-[6-(pyridin-3-ylmethylamino)purin-9-yl]oxolane-3,4-diol
InChI:
InChI=1S/C16H18N6O4/c23-6-10-12(24)13(25)16(26-10)22-8-21-11-14(19-7-20-15(11)22)18-5-9-2-1-3-17-4-9/h1-4,7-8,10,12-13,16,23-25H,5-6H2,(H,18,19,20)
InChI Key:
OGGGQWLDZCHKIQ-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccnc1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.139g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
358.358g/mol
Monoisotopic Mass:
358.139g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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