(4R,5R)-(-)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetra(1-naphthyl)-1,3-dioxolane-4,5-dimethanolatotitanium(IV) dichloride acetonitrile adduct

Catalog Number	ACM197389472-1
CAS	197389-47-2
Structure
Synonyms	Acetonitrile;dichlorotitanium;[(4R,5R)-5-[hydroxy(dinaphthalen-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-dinaphthalen-1-ylmethanol
Molecular Weight	825.6
Molecular Formula	C49H42Cl2N2O3Ti
Canonical SMILES	CC#N.CC1(NC(C(O1)C(C2=CC=CC3=CC=CC=C32)(C4=CC=CC5=CC=CC=C54)O)C(C6=CC=CC7=CC=CC=C76)(C8=CC=CC9=CC=CC=C98)O)C.Cl[Ti]Cl
InChI	InChI=1S/C47H39NO3.C2H3N.2ClH.Ti/c1-45(2)48-43(46(49,39-27-11-19-31-15-3-7-23-35(31)39)40-28-12-20-32-16-4-8-24-36(32)40)44(51-45)47(50,41-29-13-21-33-17-5-9-25-37(33)41)42-30-14-22-34-18-6-10-26-38(34)42;1-2-3;/h3-30,43-44,48-50H,1-2H3;1H3;2*1H;/q;+2/p-2/t43-,44-;/m1/s1
InChI Key	WINAMCRSRUMNBX-VCYTWFGNSA-L
Purity	95%
Appearance	Powder
Exact Mass	824.205189
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isomeric SMILES	CC#N.CC1(N[C@H]([C@@H](O1)C(C2=CC=CC3=CC=CC=C32)(C4=CC=CC5=CC=CC=C54)O)C(C6=CC=CC7=CC=CC=C76)(C8=CC=CC9=CC=CC=C98)O)C.Cl[Ti]Cl
Monoisotopic Mass	824.205189
Rotatable Bond Count	4
Topological Polar Surface Area	85.5 Ų