Palladium, [1,3-bis[2,6-bis(1-Methylethyl)phenyl]-1,3-dihydro-2H-iMidazol-2-ylidene]dichloro(1-methyl-1H-imidazole-kN3)-, (SP-4-1)-

Catalog Number	ACM1314876237
CAS	1314876-23-7
Synonyms	(SP-4-1)-[1,3-Bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene]dichloro(1-methyl-1H-imidazole-κN3)palladium
Molecular Weight	1114.27
Molecular Formula	C55H87NO22
Canonical SMILES	CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)OC)OC3C(C(C(C(O3)C)O)N(C)CC4(C(C(C(CO4)O)O)O)O)O
InChI	InChI=1S/C55H87NO22/c1-31-19-17-15-13-11-9-7-8-10-12-14-16-18-20-38(77-53-50(68)46(48(66)34(4)76-53)56(5)30-55(72)51(69)49(67)42(63)29-74-55)26-43-45(52(70)73-6)41(62)28-54(71,78-43)27-37(59)24-40(61)39(60)22-21-35(57)23-36(58)25-44(64)75-33(3)32(2)47(31)65/h7-20,31-43,45-51,53,57-63,65-69,71-72H,21-30H2,1-6H3/b8-7+,11-9+,12-10+,15-13+,16-14+,19-17+,20-18+/t31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41-,42+,43-,45+,46-,47+,48+,49+,50-,51-,53-,54+,55+/m0/s1
InChI Key	YTNDZPWJWHXCJL-DMJFHGPESA-N
Purity	97%
Complexity	2050
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	23
Exact Mass	1113.5719734
Heavy Atom Count	78
Hydrogen Bond Acceptor Count	23
Hydrogen Bond Donor Count	14
Isomeric SMILES	C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)OC)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N(C)C[C@@]4([C@H]([C@@H]([C@@H](CO4)O)O)O)O)O
Monoisotopic Mass	1113.5719734
Rotatable Bond Count	7
Topological Polar Surface Area	376 Ų