[3-(4-Diphenylphosphanyl-2,6-dimethoxypyridin-3-yl)-2,6-dimethoxypyridin-4-yl]-diphenylphosphane;(Z)-4-hydroxypent-3-en-2-one;ruthenium

Catalog Number	ACM316829353-1
CAS	316829-35-3
Synonyms	(R)-P-Phos Ruthenium (acac)2
Molecular Weight	945.9
Molecular Formula	C48H50N2O8P2Ru
Canonical SMILES	CC(=CC(=O)C)O.CC(=CC(=O)C)O.COC1=NC(=C(C(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=C(C=C4P(C5=CC=CC=C5)C6=CC=CC=C6)OC)OC)OC.[Ru]
InChI	InChI=1S/C38H34N2O4P2.2C5H8O2.Ru/c1-41-33-25-31(45(27-17-9-5-10-18-27)28-19-11-6-12-20-28)35(37(39-33)43-3)36-32(26-34(42-2)40-38(36)44-4)46(29-21-13-7-14-22-29)30-23-15-8-16-24-30;2*1-4(6)3-5(2)7;/h5-26H,1-4H3;2*3,6H,1-2H3;/b;2*4-3-;
InChI Key	GQVZOXLZVNJDOQ-QDMRRLORSA-N
Exact Mass	946.208581
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isomeric SMILES	C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.COC1=NC(=C(C(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=C(C=C4P(C5=CC=CC=C5)C6=CC=CC=C6)OC)OC)OC.[Ru]
Monoisotopic Mass	946.208581
Rotatable Bond Count	13
Topological Polar Surface Area	137 Ų