(R)-(-)-1-[(S)-2-Diphenylphosphino)ferrocenyl]ethylbis(3,5-dimethylphenyl)phosphine

Catalog Number	ACM184095690-1
CAS	184095-69-0
Structure
Synonyms	(R)-1-[(SP)-2-(Diphenylphosphino)ferrocenyl]ethyldi(3,5-xylyl)phosphine; (2R)-1-[(1R)-1-[Bis(3,5-dimethylphenyl)phosphino]ethyl]-2-(diphenylphosphino)ferrocene (acc to CAS); Josiphos SL-J005-1
IUPAC Name	(R)-(-)-1-[(S)-2-(DIPHENYLPHOSPHINO)FERROCENYL]ETHYLDI(3,5-DIMETHYLPHE...
Molecular Weight	638.54
Molecular Formula	C40H40FeP2
Purity	97%+
Appearance	Solid
Application	Ligand for Rhodium-catalyzed asymmetric hydrogenation in the synthesis of tertiary carbinamide.
Exact Mass	638.19500
Type	Josiphos

Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C40H40FeP2.

What is the exact mass of the compound?

The exact mass of the compound is 638.195461.

How many covalently-bonded units are present in the compound?

There are 3 covalently-bonded units present in the compound.

How many defined atom stereocenters are present in the compound?

There is 1 defined atom stereocenter present in the compound.

How many rotatable bond counts does the compound have?

The compound has 7 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 0.

What is the computed complexity of the compound?

The computed complexity of the compound is 554.

Is there a hydrogen bond acceptor count in the compound?

No, there is no hydrogen bond acceptor count in the compound.

Provide the canonical SMILES representation of the compound.

The canonical SMILES representation of the compound is CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C(C)[C]3[CH][CH][CH][CH]3)C.

What is the InChIKey of the compound?

The InChIKey of the compound is OLJPSMBPGNWVEN-FAVHNTAZSA-N.