Synonyms
MFCD17018827;{[(1S,2S)-2-Amino-1,2-diphenylethyl](4-toluenesulfonyl)amido}(p-cymene)(pyridine)ruthenium(II) B(C6F5)4;1192483-27-4;
IUPAC Name
[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;pyridine;ruthenium(3+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;
Molecular Weight
1357.899g/mol
Molecular Formula
C60H39BF20N3O2RuS;
Canonical SMILES
[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)S(=O)(=O)[N-]C(C2=CC=CC=C2)C(C3=CC=CC=C3)[NH-].C1=CC=NC=C1.[Ru+3];
InChI
InChI=1S/C24BF20.C21H20N2O2S.C10H14.C5H5N.Ru/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;1-8(2)10-6-4-9(3)5-7-10;1-2-4-6-5-3-1;/h;2-15,20-22H,1H3;4-8H,1-3H3;1-5H;/q-1;-2;;;+3/t;20-,21-;;;/m.1.../s1;
InChI Key
GHUVAXWQITVMIA-SZTBCCNSSA-N;
Complexity
1500
Covalently-Bonded Unit Count
5
Defined Atom Stereocenter Count
2
Exact Mass
1358.158g/mol
H-Bond Acceptor
26
H-Bond Donor
1
Heavy Atom Count
88
Monoisotopic Mass
1358.158g/mol
Rotatable Bond Count
9
Topological Polar Surface Area
57.4A^2
