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101383-42-0 | 1,2-Propanedione, 1-[(6R)-2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl]-
CAS No: 101383-42-0 Catalog No: AG0004CR MDL No:
Product Description
Catalog Number:
AG0004CR
Chemical Name:
1,2-Propanedione, 1-[(6R)-2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl]-
CAS Number:
101383-42-0
Molecular Formula:
C9H11N5O3
Molecular Weight:
237.2153
IUPAC Name:
1-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]propane-1,2-dione
InChI:
InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,12H,2H2,1H3,(H4,10,11,13,14,17)/t4-/m1/s1
InChI Key:
WBJZXBUVECZHCE-SCSAIBSYSA-N
SMILES:
CC(=O)C(=O)[C@H]1CNc2c(N1)c(=O)nc([nH]2)N
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
4
Isotope Atom Count:
0
Molecular Weight:
237.219g/mol
Monoisotopic Mass:
237.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
Literature
| Title | Journal |
|---|---|
| The biosynthesis of tetrahydrobiopterin in rat brain. Purification and characterization of 6-pyruvoyl tetrahydropterin (2'-oxo)reductase. | The Journal of biological chemistry 19890515 |
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