(+)-1,2-Bis((2S,5S)-2,5-dimethylphospholano)benzene(1,5-cyclooctadiene)rhodium(I)trifluoromethanesulfonate

Catalog Number	ACM136705754-1
CAS	136705-75-4
Structure
Synonyms	(S,S)-Me-DUPHOS-Rh
Molecular Weight	666.53
Molecular Formula	C27H40F3O3P2RhS
Canonical SMILES	CC1CCC(P1C2=CC=CC=C2P3C(CCC3C)C)C.C1CC=CCCC=C1.C(F)(F)(F)S(=O)(=O)[O-].[Rh]
InChI	InChI=1S/C18H28P2.C8H12.CHF3O3S.Rh/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h5-8,13-16H,9-12H2,1-4H3;1-2,7-8H,3-6H2;(H,5,6,7);/p-1/b;2-1-,8-7-;/t13-,14-,15-,16-;/m0/s1
InChI Key	HFNBCEIZBZROGX-KZOFNLLLSA-M
Melting Point	136-155 °C
Purity	98%
Appearance	Orange crystal
Complexity	495
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	4
Exact Mass	666.11804
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isomeric SMILES	C[C@@H]1P([C@H](CC1)C)C2=CC=CC=C2P3[C@H](CC[C@@H]3C)C.C1/C=C\CC/C=C\C1.C(S(=O)(=O)[O-])(F)(F)F.[Rh]
Monoisotopic Mass	666.11804
Rotatable Bond Count	2
Topological Polar Surface Area	65.6 Ų