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14722-73-7 | 4(3H)-Pteridinone, 2-amino-5,8-dihydro-6-(2-hydroxy-1-oxopropyl)-
CAS No: 14722-73-7 Catalog No: AG001EPM MDL No:
Product Description
Catalog Number:
AG001EPM
Chemical Name:
4(3H)-Pteridinone, 2-amino-5,8-dihydro-6-(2-hydroxy-1-oxopropyl)-
CAS Number:
14722-73-7
Molecular Formula:
C9H11N5O3
Molecular Weight:
237.2153
IUPAC Name:
2-amino-6-(2-hydroxypropanoyl)-5,8-dihydro-3H-pteridin-4-one
InChI:
InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,12,15H,1H3,(H4,10,11,13,14,17)
InChI Key:
JSTINQQZLTUAJB-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1c[nH]c2c([nH]1)c(=O)[nH]c(n2)N)O
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.086g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
237.219g/mol
Monoisotopic Mass:
237.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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