701278-05-9
[(1S,2S,3S,5S)-5-[2-AMINO-6-(BENZYLOXY)-9H-PURIN-9-YL]-3-[DIMETHYL(PHENYL)SILYL]-1-HYDROXYCYCLOPENTANE-1,2-DIYL]DIMETHANOL
Name[(1S,2S,3S,5S)-5-[2-AMINO-6-(BENZYLOXY)-9H-PURIN-9-YL]-3-[DIMETHYL(PHENYL)SILYL]-1-HYDROXYCYCLOPENTANE-1,2-DIYL]DIMETHANOL
1Identification
【Name】
[(1S,2S,3S,5S)-5-[2-AMINO-6-(BENZYLOXY)-9H-PURIN-9-YL]-3-[DIMETHYL(PHENYL)SILYL]-1-HYDROXYCYCLOPENTANE-1,2-DIYL]DIMETHANOL
【CAS】
【MDL】
MFCD09839531
【English Synonyms】
【Formula】
C27 H33 N5 O4 Si
【MolWeight】
519.675
【Inchi】
InChI=1S/C27H33N5O4Si/c1-37(2,19-11-7-4-8-12-19)21-13-22(27(35,16-34)20(21)14-33)32-17-29-23-24(32)30-26(28)31-25(23)36-15-18-9-5-3-6-10-18/h3-12,17,20-22,33-35H,13-16H2,1-2H3,(H2,28,30,31)/t20-,21+,22+,27+/m1/s1
【InChIKey】
InChIKey=FWQXSAYLZCXRAT-HLIRBWCUSA-N
【SMILES】
C[Si](C)(c1ccccc1)[C@H]2C[C@@H]([C@@]([C@@H]2CO)(CO)O)n3cnc4c3nc(nc4OCc5ccccc5)N
【MOL File】
[(1S,2S,3S,5S)-5-[2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
[(1S,2S,3S,5S)-5-[2-AMINO-6-(BENZYLOXY)-9H-PURIN-9-YL]-3-[DIMETHYL(PHENYL)SILYL]-1-HYDROXYCYCLOPENTANE-1,2-DIYL]DIMETHANOL.cml