(R)-1-[(SP)-2-(Di-tert-butylphosphino)ferrocenyl]ethylbis(2-methylphenyl)phosphine

Catalog Number	ACM849924761-2
CAS	849924-76-1
Structure
Synonyms	(1R)-1-[Bis(1,1-dimethylethyl)phosphino]-2-[(1R)-1-[bis(2-methylphenyl)phosphino]ethyl]ferrocene (acc to CAS); Josiphos SL-J505-1
Molecular Weight	570.51
Molecular Formula	C34H44FeP2
InChI	DSZYQALCGVODLB-UHFFFAOYSA-N
InChI Key	InChI=1S/C29H39P2.C5H5.Fe/c1-21-15-10-12-18-25(21)30(26-19-13-11-16-22(26)2)23(3)24-17-14-20-27(24)31(28(4,5)6)29(7,8)9;1-2-4-5-3-1;/h10-20,23H,1-9H3;1-5H;
Purity	97%+
Appearance	Solid
Isomeric SMILES	CC1=CC=CC=C1P(C2=CC=CC=C2C)C(C)[C]3[CH][CH][CH][C]3P(C(C)(C)C)C(C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe]
Type	Josiphos

Q&A

What is the molecular formula of the compound Josiphos SL-J505-2?

The molecular formula is C34H44FeP2.

What is the exact mass of Josiphos SL-J505-2?

The exact mass is 570.226761 g/mol.

How many heavy atoms are present in Josiphos SL-J505-2?

There are 37 heavy atoms.

How many covalently-bonded units are in Josiphos SL-J505-2?

There are 3 covalently-bonded units.

What is the canonical SMILES representation of Josiphos SL-J505-2?

The canonical SMILES is CC1=CC=CC=C1P(C2=CC=CC=C2C)(C[C@@H](C)[C]3[CH][CH][CH][C]3P(C(C)(C)C)C(C)(C)C).[CH]1[CH][CH][CH][CH]1.[Fe].

How many rotatable bonds are present in Josiphos SL-J505-2?

There are 7 rotatable bonds.

What is the name of the compound with the Depositor-Supplied Synonym "ZIB92476"?

The compound is Josiphos SL-J505-2.

How many defined atom stereocenters are in Josiphos SL-J505-2?

There is 1 defined atom stereocenter.

What is the computed complexity of Josiphos SL-J505-2?

The computed complexity is 532.