(4R,5R)-(-)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetraphenyl-1,3-dioxolane-4,5-dimethanolato[1,2-bis(dimethoxy)ethane]titanium(IV) dichloride acetonitrile adduct

Catalog Number	ACM328123042-1
CAS	328123-04-2
Structure
Synonyms	Acetonitrile;cyclohexa-1,3-dien-1-yl-[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol;dichlorotitanium;1,2-dimethoxyethane
Molecular Weight	718.5
Molecular Formula	C37H45Cl2NO6Ti
Canonical SMILES	CC#N.CC1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CCC4)(C5=CC=CC=C5)O)C.COCCOC.Cl[Ti]Cl
InChI	InChI=1S/C31H32O4.C4H10O2.C2H3N.2ClH.Ti/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26;1-5-3-4-6-2;1-2-3;/h3-13,15-21,27-28,32-33H,14,22H2,1-2H3;3-4H2,1-2H3;1H3;2*1H;/q;+2/p-2/t27-,28-,31/m1/s1
InChI Key	YTJMLZYQYKUFOH-IWLCBTADSA-L
Purity	98%
Appearance	Crystal
Exact Mass	717.210334
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC#N.CC1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CCC4)(C5=CC=CC=C5)O)C.COCCOC.Cl[Ti]Cl
Monoisotopic Mass	717.210334
Rotatable Bond Count	7
Topological Polar Surface Area	101 Ų