RuCl[(S,S)-Fsdpen](p-cymene)

• CAS: 1026995-72-1
• Catalog Number: ACM1026995721
• Category: Ruthenium series catalysts
• Molecular Weight: 712.138g/mol
• Molecular Formula: C30H28ClF5N2O2RuS
• Synonyms: RuCl[(S,S)-FsDPEN](p-cymene);1026995-72-1;[(S,S)-N-(2-Amino-1,2-diphenylethyl)pentafluorobenzenesulfonamide]chloro(p-cymene)ruthenium(II);R0122;J-000770;Chloro(p-cymene)[(S,S)-N-(pentafluorobenzenesulfonyl)-1,2-diphenylethylenediamine]ruthenium(II);Chloro{[(1S,2S)-(+)-2-amino-1,2-diphenylethyl](pentafluorophenylsulfonyl)amido}(p-cymene)ruthenium(I
• IUPAC Name: [(1S,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);chloride
• SMILES: CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[N-]S(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F)N.[Cl-].[Ru+2]
• InChI: InChI=1S/C20H14F5N2O2S.C10H14.ClH.Ru/c21-13-14(22)16(24)20(17(25)15(13)23)30(28,29)27-19(12-9-5-2-6-10-12)18(26)11-7-3-1-4-8-11;1-8(2)10-6-4-9(3)5-7-10;;/h1-10,18-19H,26H2;4-8H,1-3H3;1H;/q-1;;;+2/p-1/t18-,19-;;;/m0.../s1
• InChI Key: UWFMZLATRGEOIW-NWMPYMMKSA-M
• Application: Catalyst used in the asymmetric transfer hydrogenation of ketones using formic acid-triethylamine mixture.
• Storage: 2-8°C
• Complexity: 722
• Covalently-Bonded Unit Count: 4
• Defined Atom Stereocenter Count: 2
• Exact Mass: 712.052g/mol
• H-Bond Acceptor: 10
• H-Bond Donor: 1
• Heavy Atom Count: 42
• Monoisotopic Mass: 712.052g/mol
• Rotatable Bond Count: 7
• Topological Polar Surface Area: 69.5A^2

Custom Q&A

What is the molecular formula of RuCl[(S,S)-Fsdpen](p-cymene)?

The molecular formula is C30H28ClF5N2O2RuS.

When was this compound created and last modified?

The compound was created on 2013-05-17 and last modified on 2023-12-30.

What is the molecular weight of RuCl[(S,S)-Fsdpen](p-cymene)?

The molecular weight is 712.1 g/mol.

What are the synonyms for RuCl[(S,S)-Fsdpen](p-cymene)?

The synonyms are RuCl[(S,S)-FsDPEN](p-cymene), 1026995-72-1, RuCl[(S,S)-FsDPEN](p-cymene), 90% T71537, N-[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-N-(CHLORORUTHENIO)-2,3,4,5,6-PENTAFLUOROBENZENESULFONAMIDE; CYMENE.

What is the IUPAC name of RuCl[(S,S)-Fsdpen](p-cymene)?

The IUPAC name is [(1S,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;chlororuthenium(1+);1-methyl-4-propan-2-ylbenzene.

What is the InChIKey of RuCl[(S,S)-Fsdpen](p-cymene)?

The InChIKey is UWFMZLATRGEOIW-NWMPYMMKSA-M.

What is the Canonic SMILES representation of RuCl[(S,S)-Fsdpen](p-cymene)?

The Canonical SMILES is CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[N-]S(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F)N.Cl[Ru+].

What is the European Community (EC) Number for RuCl[(S,S)-Fsdpen](p-cymene)?

The EC Number is 806-979-8.

How many Hydrogen Bond Acceptor Counts does RuCl[(S,S)-Fsdpen](p-cymene) have?

It has 9 Hydrogen Bond Acceptor Counts.

How many Rotatable Bond Counts does RuCl[(S,S)-Fsdpen](p-cymene) have?

It has 7 Rotatable Bond Counts.

What are some synonyms for RuCl[(S,S)-Fsdpen](p-cymene)?

Some synonyms include RuCl[(S,S)-FsDPEN](p-cymene), 1026995-72-1, and N-[(1S,2S)-2-amino-1,2-diphenylethyl]-N-(chlororuthenio)-2,3,4,5,6-pentafluorobenzenesulfonamide.

When was RuCl[(S,S)-Fsdpen](p-cymene) created and last modified?

It was created on 2013-05-17 and last modified on 2023-12-30.

What is the InChI of RuCl[(S,S)-Fsdpen](p-cymene)?

The InChI is InChI=1S/C20H14F5N2O2S.C10H14.ClH.Ru/c21-13-14(22)16(24)20(17(25)15(13)23)30(28,29)27-19(12-9-5-2-6-10-12)18(26)11-7-3-1-4-8-11;1-8(2)10-6-4-9(3)5-7-10;;/h1-10,18-19H,26H2;4-8H,1-3H3;1H;/q-1;;;+2/p-1/t18-,19-;;;/m0.../s1.

What is the Canonical SMILES of RuCl[(S,S)-Fsdpen](p-cymene)?

The Canonical SMILES is CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[N-]S(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F)N.Cl[Ru+].

What is the CAS number for RuCl[(S,S)-Fsdpen](p-cymene)?

The CAS number is 1026995-72-1.

How many hydrogen bond acceptor count does RuCl[(S,S)-Fsdpen](p-cymene) have?

It has 9 hydrogen bond acceptor counts.

What is the topological polar surface area of RuCl[(S,S)-Fsdpen](p-cymene)?

The topological polar surface area is 69.5 Å2.