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149298-99-7 | 9H-Purine-9-pentanoic acid, 2-amino-1,6-dihydro-6-oxo-
CAS No: 149298-99-7 Catalog No: AG001LK4 MDL No:
Product Description
Catalog Number:
AG001LK4
Chemical Name:
9H-Purine-9-pentanoic acid, 2-amino-1,6-dihydro-6-oxo-
CAS Number:
149298-99-7
Molecular Formula:
C10H13N5O3
Molecular Weight:
251.2419
IUPAC Name:
5-(2-amino-6-oxo-1H-purin-9-yl)pentanoic acid
InChI:
InChI=1S/C10H13N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)4-2-1-3-6(16)17/h5H,1-4H2,(H,16,17)(H3,11,13,14,18)
InChI Key:
FBOBYAOBUGYMOT-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCn1cnc2c1nc(N)[nH]c2=O
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.246g/mol
Monoisotopic Mass:
251.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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