89687-39-8
1-(2-AMINO-4-HYDROXY-5,6,7,8-TETRAHYDROPTERIDIN-6-YL)PROPANE-1,2-DIONE
Name1-(2-AMINO-4-HYDROXY-5,6,7,8-TETRAHYDROPTERIDIN-6-YL)PROPANE-1,2-DIONE
1Identification
【Name】
1-(2-AMINO-4-HYDROXY-5,6,7,8-TETRAHYDROPTERIDIN-6-YL)PROPANE-1,2-DIONE
【CAS】
【MDL】
MFCD19707405
【English Synonyms】
【Formula】
C9 H11 N5 O3
【MolWeight】
237.218
【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)
【InChIKey】
InChIKey=WBJZXBUVECZHCE-UHFFFAOYSA-N
【SMILES】
CC(=O)C(=O)C1CNc2c(c(nc(n2)N)O)N1
【MOL File】
1-(2-AMINO-4-HYDROXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:8
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-AMINO-4-HYDROXY-5,6,7,8-TETRAHYDROPTERIDIN-6-YL)PROPANE-1,2-DIONE.cml