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113509-54-9 | Adenosine, N-methyl-, 1-oxide
CAS No: 113509-54-9 Catalog No: AG0008UK MDL No:
Product Description
Catalog Number:
AG0008UK
Chemical Name:
Adenosine, N-methyl-, 1-oxide
CAS Number:
113509-54-9
Molecular Formula:
C11H15N5O5
Molecular Weight:
297.2673
IUPAC Name:
2-(hydroxymethyl)-5-(1-hydroxy-6-methyliminopurin-9-yl)oxolane-3,4-diol
InChI:
InChI=1S/C11H15N5O5/c1-12-9-6-10(14-4-16(9)20)15(3-13-6)11-8(19)7(18)5(2-17)21-11/h3-5,7-8,11,17-20H,2H2,1H3
InChI Key:
WSNFPBJZRWYJBW-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc[n+](c2NC)[O-]
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
297.271g/mol
Monoisotopic Mass:
297.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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