[(3R)-4,4'-Bis[bis(3,5-dimethylphenyl)phosphino-κP]-2,2',6,6'-tetramethoxy[3,3'-bipyridine]][(2R)-1,1-bis(4-methoxyphenyl)-3-methyl-1,2-butanediamine-κN1,κN2]dichlororuthenium

Catalog Number	ACM918130219
CAS	918130-21-9
Synonyms	(R)-Xyl-P-Phos RuCl2 (R)-Daipen
Molecular Weight	1243.2
Molecular Formula	C65H76Cl2N4O6P2Ru
Canonical SMILES	CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=NC(=C3C4=C(N=C(C=C4P(C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)OC)OC)OC)OC)C.CC(C)C(C(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)N)N.Cl[Ru]Cl
InChI	InChI=1S/C46H50N2O4P2.C19H26N2O2.2ClH.Ru/c1-27-13-28(2)18-35(17-27)53(36-19-29(3)14-30(4)20-36)39-25-41(49-9)47-45(51-11)43(39)44-40(26-42(50-10)48-46(44)52-12)54(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38;1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15;/h13-26H,1-12H3;5-13,18H,20-21H2,1-4H3;2*1H;/q;+2/p-2/t;18-;/m1/s1
InChI Key	RJVUHQGIDZFJBW-OEGAAENXSA-L
Purity	98%
Complexity	1300
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	1
Exact Mass	1242.366056
Heavy Atom Count	80
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=NC(=C3C4=C(N=C(C=C4P(C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)OC)OC)OC)OC)C.CC(C)[C@H](C(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)N)N.Cl[Ru]Cl
Monoisotopic Mass	1242.366056
Rotatable Bond Count	17
Topological Polar Surface Area	133 Ų