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116525-70-3 | Adenosine, 2-methyl-2'-O-methyl- (9CI)
CAS No: 116525-70-3 Catalog No: AG000COP MDL No:
Product Description
Catalog Number:
AG000COP
Chemical Name:
Adenosine, 2-methyl-2'-O-methyl- (9CI)
CAS Number:
116525-70-3
Molecular Formula:
C12H17N5O4
Molecular Weight:
295.2945
IUPAC Name:
5-(6-amino-2-methylpurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
InChI:
InChI=1S/C12H17N5O4/c1-5-15-10(13)7-11(16-5)17(4-14-7)12-9(20-2)8(19)6(3-18)21-12/h4,6,8-9,12,18-19H,3H2,1-2H3,(H2,13,15,16)
InChI Key:
YIOGWYSURMHMQM-UHFFFAOYSA-N
SMILES:
CO[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(C)nc2N)CO
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.128g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
295.299g/mol
Monoisotopic Mass:
295.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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