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116655-73-3 | Adenosine, 3'-deoxy-N-methyl-3'-(methylamino)- (9CI)
CAS No: 116655-73-3 Catalog No: AG000CXC MDL No:
Product Description
Catalog Number:
AG000CXC
Chemical Name:
Adenosine, 3'-deoxy-N-methyl-3'-(methylamino)- (9CI)
CAS Number:
116655-73-3
Molecular Formula:
C12H18N6O3
Molecular Weight:
294.3097
IUPAC Name:
5-(hydroxymethyl)-4-(methylamino)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
InChI:
InChI=1S/C12H18N6O3/c1-13-7-6(3-19)21-12(9(7)20)18-5-17-8-10(14-2)15-4-16-11(8)18/h4-7,9,12-13,19-20H,3H2,1-2H3,(H,14,15,16)
InChI Key:
JYOPKQCFDXMDLH-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1NC)O)n1cnc2c1ncnc2NC
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.144g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
294.315g/mol
Monoisotopic Mass:
294.144g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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