3257-73-6
9-(2',3',5'-TRI-O-BENZYL-BETA-D-ARABINOFURANOSYL)-ADENINE
Name9-(2',3',5'-TRI-O-BENZYL-BETA-D-ARABINOFURANOSYL)-ADENINE
1Identification
【Name】
9-(2',3',5'-TRI-O-BENZYL-BETA-D-ARABINOFURANOSYL)-ADENINE
【CAS】
【MDL】
MFCD00038476
【English Synonyms】
【Formula】
C31 H31 N5 O4
【MolWeight】
537.617
【Inchi】
InChI=1S/C31H31N5O4/c32-29-26-30(34-20-33-29)36(21-35-26)31-28(39-18-24-14-8-3-9-15-24)27(38-17-23-12-6-2-7-13-23)25(40-31)19-37-16-22-10-4-1-5-11-22/h1-15,20-21,25,27-28,31H,16-19H2,(H2,32,33,34)/t25-,27-,28+,31-/m1/s1
【InChIKey】
InChIKey=WRFWNCVDEVBPJK-IIHCQYLKSA-N
【SMILES】
c1ccc(cc1)COC[C@@H]2[C@H]([C@@H]([C@@H](O2)n3cnc4c3ncnc4N)OCc5ccccc5)OCc6ccccc6
【MOL File】
9-(2',3',5'-TRI-O-BE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
9-(2',3',5'-TRI-O-BENZYL-BETA-D-ARABINOFURANOSYL)-ADENINE.cml