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Home Aminos 5-(6-aminopurin-9-yl)pentanoic acid

5-(6-aminopurin-9-yl)pentanoic acid

CAS No.:
90973-36-7
Catalog Number:
AG006SHR
Molecular Formula:
C10H13N5O2
Molecular Weight:
235.2425
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Product Description
Catalog Number:
AG006SHR
Chemical Name:
5-(6-aminopurin-9-yl)pentanoic acid
CAS Number:
90973-36-7
Molecular Formula:
C10H13N5O2
Molecular Weight:
235.2425
MDL Number:
MFCD09259351
IUPAC Name:
5-(6-aminopurin-9-yl)pentanoic acid
InChI:
InChI=1S/C10H13N5O2/c11-9-8-10(13-5-12-9)15(6-14-8)4-2-1-3-7(16)17/h5-6H,1-4H2,(H,16,17)(H2,11,12,13)
InChI Key:
HJJJCCCOQLLMQD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCn1cnc2c1ncnc2N
NSC Number:
75749
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.107g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.247g/mol
Monoisotopic Mass:
235.107g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Hydroxamate based inhibitors of adenylyl cyclase. Part 1: the effect of acyclic linkers on P-site binding. Bioorganic & medicinal chemistry letters 20021104
Properties