861244-70-4
2-(2-AMINO-1,6-DIHYDRO-6-OXO-9H-PURIN-9-YL)-1,4-ANHYDRO-2-DEOXY-L-ARABINITOL
Name2-(2-AMINO-1,6-DIHYDRO-6-OXO-9H-PURIN-9-YL)-1,4-ANHYDRO-2-DEOXY-L-ARABINITOL
1Identification
【Name】
2-(2-AMINO-1,6-DIHYDRO-6-OXO-9H-PURIN-9-YL)-1,4-ANHYDRO-2-DEOXY-L-ARABINITOL
【CAS】
【MDL】
MFCD11617396
【English Synonyms】
【Formula】
C10 H13 N5 O4
【MolWeight】
267.244
【Inchi】
InChI=1S/C10H13N5O4/c11-10-13-8-6(9(18)14-10)12-3-15(8)4-2-19-5(1-16)7(4)17/h3-5,7,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5-,7+/m0/s1
【InChIKey】
InChIKey=DEEZTMBYCAECGS-KZLJYQGOSA-N
【SMILES】
c1nc2c(=O)[nH]c(nc2n1[C@H]3CO[C@H]([C@@H]3O)CO)N
【MOL File】
2-(2-AMINO-1,6-DIHYD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:9
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-AMINO-1,6-DIHYDRO-6-OXO-9H-PURIN-9-YL)-1,4-ANHYDRO-2-DEOXY-L-ARABINITOL.cml