Synonyms
6,10-Dibenzyl-N,N'-dimethyl-N,N,N',N'-tetrakis(4-methylbenzyl)-1,4-dioxaspiro[4.5]decane-(2S,3S)-diylbis(methylammonium) Tetrafluoroborate;6,10-Dibenzyl-N,N'-dimethyl-N,N,N',N'-tetrakis(4-methylbenzyl)-1,4-dioxaspiro[4.5]decane-(2S,3S)-diylbis(methylammonium) Tetrafluoroborate [=(S,S)-TaDiAS-2nd];CTK8F7010;D3476;2010983-27-2;6,10-Dibenzyl-N,N'-dimethyl-N,N,N',N'-tetrakis(4-methylbenzyl)-1,4-dioxaspiro[4.5]decane-(2R,3R)-diylbis(methylammonium) Bis(tetrafluoroborate);
IUPAC Name
[(2S,3S)-6,10-dibenzyl-3-[[methyl-bis[(4-methylphenyl)methyl]azaniumyl]methyl]-1,4-dioxaspiro[4.5]decan-2-yl]methyl-methyl-bis[(4-methylphenyl)methyl]azanium;ditetrafluoroborate;
Molecular Weight
1000.817g/mol
Molecular Formula
C58H70B2F8N2O2;
Canonical SMILES
[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC1=CC=C(C=C1)C[N+](C)(CC2C(OC3(O2)C(CCCC3CC4=CC=CC=C4)CC5=CC=CC=C5)C[N+](C)(CC6=CC=C(C=C6)C)CC7=CC=C(C=C7)C)CC8=CC=C(C=C8)C;
InChI
InChI=1S/C58H70N2O2.2BF4/c1-44-20-28-50(29-21-44)38-59(5,39-51-30-22-45(2)23-31-51)42-56-57(43-60(6,40-52-32-24-46(3)25-33-52)41-53-34-26-47(4)27-35-53)62-58(61-56)54(36-48-14-9-7-10-15-48)18-13-19-55(58)37-49-16-11-8-12-17-49;2*2-1(3,4)5/h7-12,14-17,20-35,54-57H,13,18-19,36-43H2,1-6H3;;/q+2;2*-1/t54 ,55 ,56-,57-;;/m0../s1;
InChI Key
RNRYUCPTAVMDSK-OMMKCNCLSA-N;
Complexity
1160
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
2
Exact Mass
1000.55g/mol
H-Bond Acceptor
12
Heavy Atom Count
72
Monoisotopic Mass
1000.55g/mol
Rotatable Bond Count
16
Topological Polar Surface Area
18.5A^2
Undefined Atom Stereocenter Count
2
