73263-99-7
6-(4-HYDROXY-3-METHYLBUTYLAMINO)-9-BETA-D-GLUCOPYRANOSYLPURINE
Name6-(4-HYDROXY-3-METHYLBUTYLAMINO)-9-BETA-D-GLUCOPYRANOSYLPURINE
1Identification
【Name】
6-(4-HYDROXY-3-METHYLBUTYLAMINO)-9-BETA-D-GLUCOPYRANOSYLPURINE
【CAS】
【MDL】
MFCD00137284
【English Synonyms】
【Formula】
C16 H25 N5 O6
【MolWeight】
383.402
【Inchi】
InChI=1S/C16H25N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)/t8?,9-,11-,12+,13-,16-/m1/s1
【InChIKey】
InChIKey=DRPMMLWYLAPTPK-UFZVAZPKSA-N
【SMILES】
CC(CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO
【MOL File】
6-(4-HYDROXY-3-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:11
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(4-HYDROXY-3-METHYLBUTYLAMINO)-9-BETA-D-GLUCOPYRANOSYLPURINE.cml