(R)-Rutheniumdiacetate-(DM-SEGPHOS)

Catalog Number	ACM944450491-1
CAS	944450-49-1
Structure
Synonyms	Acetic acid;[4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;ruthenium
Molecular Weight	944
Molecular Formula	C50H52O8P2Ru
Canonical SMILES	CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.CC(=O)O.CC(=O)O.[Ru]
InChI	InChI=1S/C46H44O4P2.2C2H4O2.Ru/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38;2*1-2(3)4;/h9-24H,25-26H2,1-8H3;2*1H3,(H,3,4);
InChI Key	DQDVNUGYAGPIFX-UHFFFAOYSA-N
Melting Point	>100 °C
Purity	97%
Appearance	Solid
Exact Mass	944.218083
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Monoisotopic Mass	944.218083
Rotatable Bond Count	7
Topological Polar Surface Area	112 Ų