137524-89-1
2-AMINO-4A,5,6,7-TETRAHYDRO-4A-HYDROXY-4(1H)-PTERIDINONE
Name2-AMINO-4A,5,6,7-TETRAHYDRO-4A-HYDROXY-4(1H)-PTERIDINONE
1Identification
【Name】
2-AMINO-4A,5,6,7-TETRAHYDRO-4A-HYDROXY-4(1H)-PTERIDINONE
【CAS】
【MDL】
MFCD18833335
【English Synonyms】
【Formula】
C6 H9 N5 O2
【MolWeight】
183.17
【Inchi】
InChI=1S/C6H9N5O2/c7-5-10-3-6(13,4(12)11-5)9-2-1-8-3/h9,13H,1-2H2,(H3,7,8,10,11,12)
【InChIKey】
InChIKey=LUGYMNYIZKAZAP-UHFFFAOYSA-N
【SMILES】
C1CN=C2C(N1)(C(=O)N=C(N2)N)O
【MOL File】
2-AMINO-4A,5,6,7-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:7
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-4A,5,6,7-TETRAHYDRO-4A-HYDROXY-4(1H)-PTERIDINONE.cml