Structure

[(R,R)-Teth-TsDpen RuCl]

CAS
1192620-83-9
Catalog Number
ACM1192620839
Category
Ruthenium series catalysts
Molecular Weight
620.17g/mol
Molecular Formula
C30H31ClN2O2RuS;

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Specification

Synonyms
1192620-83-9;MFCD16294993;{N-[3-(eta6-Phenyl)propyl]-[(1R-2R)-1,2-diphenyl-1-4-methylbenzenesulfonylamidato(kN')-ethyl-2-amino-(kN)]}ruthenium(II);
IUPAC Name
chlororuthenium(1+);[(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide;
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)[N-]C(C2=CC=CC=C2)C(C3=CC=CC=C3)NCCCC4=CC=CC=C4.Cl[Ru+];
InChI
InChI=1S/C30H31N2O2S.ClH.Ru/c1-24-19-21-28(22-20-24)35(33,34)32-30(27-17-9-4-10-18-27)29(26-15-7-3-8-16-26)31-23-11-14-25-12-5-2-6-13-25;;/h2-10,12-13,15-22,29-31H,11,14,23H2,1H3;1H;/q-1;;+2/p-1/t29-,30-;;/m1../s1;
InChI Key
MDABGVLQRDDWLY-SEILFYAJSA-M;
Storage
2-8°C
Complexity
682
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
2
Exact Mass
620.084g/mol
H-Bond Acceptor
4
H-Bond Donor
1
Heavy Atom Count
37
Monoisotopic Mass
620.084g/mol
Rotatable Bond Count
11
Topological Polar Surface Area
55.6A^2
What is the molecular formula of [(R,R)-Teth-TsDpen RuCl]?

The molecular formula of [(R,R)-Teth-TsDpen RuCl] is C30H31ClN2O2RuS.

What is the molecular weight of [(R,R)-Teth-TsDpen RuCl]?

The molecular weight of [(R,R)-Teth-TsDpen RuCl] is 620.2 g/mol.

What are some synonyms for [(R,R)-Teth-TsDpen RuCl]?

Some synonyms for [(R,R)-Teth-TsDpen RuCl] include 1192620-83-9 and C12942.

When was [(R,R)-Teth-TsDpen RuCl] created and modified in PubChem?

[(R,R)-Teth-TsDpen RuCl] was created on November 30, 2018, and last modified on December 30, 2023.

How many Hydrogen Bond Acceptor Counts does [(R,R)-Teth-TsDpen RuCl] have?

[(R,R)-Teth-TsDpen RuCl] has 4 Hydrogen Bond Acceptor Counts.

What is the Exact Mass of [(R,R)-Teth-TsDpen RuCl]?

The Exact Mass of [(R,R)-Teth-TsDpen RuCl] is 620.083817 g/mol.

How many Rotatable Bond Counts does [(R,R)-Teth-TsDpen RuCl] have?

[(R,R)-Teth-TsDpen RuCl] has 11 Rotatable Bond Counts.

What is the Topological Polar Surface Area of [(R,R)-Teth-TsDpen RuCl]?

The Topological Polar Surface Area of [(R,R)-Teth-TsDpen RuCl] is 55.6 Ų.

How many Defined Atom Stereocenter Counts does [(R,R)-Teth-TsDpen RuCl] have?

[(R,R)-Teth-TsDpen RuCl] has 2 Defined Atom Stereocenter Counts.

Is [(R,R)-Teth-TsDpen RuCl] considered as a Canonicalized compound in PubChem?

Yes, [(R,R)-Teth-TsDpen RuCl] is considered as a Canonicalized compound in PubChem.

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