(1S)-1-[Bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(1S)-1-(dicyclohexylphosphino)ethyl]ferrocene

Catalog Number	ACM849923882-1
CAS	849923-88-2
Structure
Synonyms	Josiphos SL-J007-2
Molecular Weight	710.70
Molecular Formula	C42H56FeO2P2
InChI	QYTRSAIHSZHSTP-UHFFFAOYSA-N
InChI Key	InChI=1S/C37H51O2P2.C5H5.Fe/c1-25-21-32(22-26(2)36(25)38-6)41(33-23-27(3)37(39-7)28(4)24-33)35-20-14-19-34(35)29(5)40(30-15-10-8-11-16-30)31-17-12-9-13-18-31;1-2-4-5-3-1;/h14,19-24,29-31H,8-13,15-18H2,1-7H3;1-5H;
Purity	98%
Appearance	Solid
Isomeric SMILES	CC1=CC(=CC(=C1OC)C)P([C]2[CH][CH][CH][C]2C(C)P(C3CCCCC3)C4CCCCC4)C5=CC(=C(C(=C5)C)OC)C.[CH]1[CH][CH][CH][CH]1.[Fe]
Type	Josiphos

Q&A

What is the molecular formula of (1S)-1-[Bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(1S)-1-(dicyclohexylphosphino)ethyl]ferrocene?

The molecular formula is C42H56FeO2P2.

What is the exact mass of (1S)-1-[Bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(1S)-1-(dicyclohexylphosphino)ethyl]ferrocene?

The exact mass is 710.310491 g/mol.

How many heavy atoms are present in (1S)-1-[Bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(1S)-1-(dicyclohexylphosphino)ethyl]ferrocene?

There are 47 heavy atoms present in (1S)-1-[Bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(1S)-1-(dicyclohexylphosphino)ethyl]ferrocene.

What is the Canonical SMILES of (1S)-1-[Bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(1S)-1-(dicyclohexylphosphino)ethyl]ferrocene?

The Canonical SMILES is CC1=CC(=CC(=C1OC)C)P([C]2[CH][CH][CH][C]2C(C)P(C3CCCCC3)C4CCCCC4)C5=CC(=C(C(=C5)C)OC)C.[CH]1[CH][CH][CH][CH]1.[Fe]

What is the Computed Properties Rotatable Bond Count of (1S)-1-[Bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(1S)-1-(dicyclohexylphosphino)ethyl]ferrocene?

The Computed Properties Rotatable Bond Count is 9.

What is the InChIKey of (1S)-1-[Bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(1S)-1-(dicyclohexylphosphino)ethyl]ferrocene?

The InChIKey is QYTRSAIHSZHSTP-SYXKTQFYSA-N.

How many Covalently-Bonded Unit Count are there in (1S)-1-[Bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(1S)-1-(dicyclohexylphosphino)ethyl]ferrocene?

There are 3 Covalently-Bonded Unit Count in (1S)-1-[Bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(1S)-1-(dicyclohexylphosphino)ethyl]ferrocene.

What is the Depositor-Supplied Synonyms for (1S)-1-[Bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(1S)-1-(dicyclohexylphosphino)ethyl]ferrocene?

The Depositor-Supplied Synonyms are 849923-88-2 and AKOS025295807.

What is the Isomeric SMILES of (1S)-1-[Bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(1S)-1-(dicyclohexylphosphino)ethyl]ferrocene?

The Isomeric SMILES is CC1=CC(=CC(=C1OC)C)P([C]2[CH][CH][CH][C]2[C@@H](C)P(C3CCCCC3)C4CCCCC4)C5=CC(=C(C(=C5)C)OC)C.[CH]1[CH][CH][CH][CH]1.[Fe]

What is the RecordTitle of (1S)-1-[Bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(1S)-1-(dicyclohexylphosphino)ethyl]ferrocene?

The RecordTitle of (1S)-1-[Bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(1S)-1-(dicyclohexylphosphino)ethyl]ferrocene is CID 16218674.