59384-58-6
6-(3,3-DIMETHYLALLYLAMINO)-7-BETA-DGLUCOPYRANOSYLPURINE
Name6-(3,3-DIMETHYLALLYLAMINO)-7-BETA-DGLUCOPYRANOSYLPURINE
1Identification
【Name】
6-(3,3-DIMETHYLALLYLAMINO)-7-BETA-DGLUCOPYRANOSYLPURINE
【CAS】
【MDL】
MFCD18641949
【English Synonyms】
【Formula】
C16 H23 N5 O5
【MolWeight】
365.388
【Inchi】
InChI=1S/C16H23N5O5/c1-8(2)3-4-17-14-10-15(19-6-18-14)20-7-21(10)16-13(25)12(24)11(23)9(5-22)26-16/h3,6-7,9,11-13,16,22-25H,4-5H2,1-2H3,(H,17,18,19)/t9-,11-,12+,13-,16-/m1/s1
【InChIKey】
InChIKey=ORUWKZNXHJIZKV-HDNYONAXSA-N
【SMILES】
CC(=CCNc1c2c(ncn1)ncn2[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C
【MOL File】
6-(3,3-DIMETHYLALLYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:10
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(3,3-DIMETHYLALLYLAMINO)-7-BETA-DGLUCOPYRANOSYLPURINE.cml