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129828-73-5 | Adenosine, 5'-[(3-amino-3-carboxypropyl)methylamino]-5'-deoxy-
CAS No: 129828-73-5 Catalog No: AG000TQN MDL No:
Product Description
Catalog Number:
AG000TQN
Chemical Name:
Adenosine, 5'-[(3-amino-3-carboxypropyl)methylamino]-5'-deoxy-
CAS Number:
129828-73-5
Molecular Formula:
C15H23N7O5
Molecular Weight:
381.3870
IUPAC Name:
2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butanoic acid
InChI:
InChI=1S/C15H23N7O5/c1-21(3-2-7(16)15(25)26)4-8-10(23)11(24)14(27-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,14,23-24H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)
InChI Key:
JISVTSUBJCPLSV-UHFFFAOYSA-N
SMILES:
CN(C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CCC(C(=O)O)N
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.176g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
381.393g/mol
Monoisotopic Mass:
381.176g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
186A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.1
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