Synonyms
MFCD16038130;1443051-97-5;Dichloro[(4S,5S)-(+)-4,5-bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane][(S)-(-)-2-(i-propyl)methanamine)-1H-benzimidazole]ruthenium(II);
IUPAC Name
(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dichlororuthenium;[(4S,5S)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane;
Molecular Weight
859.775g/mol
Molecular Formula
C42H47Cl2N3O2P2Ru;
Canonical SMILES
CC(C)C(C1=NC2=CC=CC=C2N1)N.CC1(OC(C(O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C.Cl[Ru]Cl;
InChI
InChI=1S/C31H32O2P2.C11H15N3.2ClH.Ru/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28;1-7(2)10(12)11-13-8-5-3-4-6-9(8)14-11;;;/h3-22,29-30H,23-24H2,1-2H3;3-7,10H,12H2,1-2H3,(H,13,14);2*1H;/q;;;;+2/p-2/t29-,30-;10-;;;/m10.../s1;
InChI Key
QSACDIOLKHLTFP-RVHSTDQRSA-L;
Complexity
723
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
3
Exact Mass
859.156g/mol
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
52
Monoisotopic Mass
859.156g/mol
Rotatable Bond Count
10
Topological Polar Surface Area
73.2A^2
