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10154-08-2 | 1H-Purine-8-propanoic acid, α-amino-2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-
CAS No: 10154-08-2 Catalog No: AG0004RE MDL No:
Product Description
Catalog Number:
AG0004RE
Chemical Name:
1H-Purine-8-propanoic acid, α-amino-2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-
CAS Number:
10154-08-2
Molecular Formula:
C10H13N5O4
Molecular Weight:
267.2413
IUPAC Name:
2-amino-3-(3,7-dimethyl-2,6-dioxopurin-8-yl)propanoic acid
InChI:
InChI=1S/C10H13N5O4/c1-14-5(3-4(11)9(17)18)12-7-6(14)8(16)13-10(19)15(7)2/h4H,3,11H2,1-2H3,(H,17,18)(H,13,16,19)
InChI Key:
FOTLFXOEEPODAN-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1nc2c(n1C)c(=O)[nH]c(=O)n2C)N
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.245g/mol
Monoisotopic Mass:
267.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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