CAS 1192483-27-4 {[(1S,2S)-2-Amino-1,2-diphenylethyl](4-toluenesulfonyl)amido}(p-cymene)(pyridine)ruthenium(II) tetrafluoroborate, min. 97%

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

Defined Atom Stereocenter Count

Exact Mass

1358.158g/mol

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

1358.158g/mol

Rotatable Bond Count

Topological Polar Surface Area

57.4A^2