(R)-(-)-1-[(S)-2-(Di-1-naphthylphosphino)ferrocenyl]ethyldi-3,5-xylylphosphine

Catalog Number	ACM851308402-1
CAS	851308-40-2
Structure
Synonyms	Josiphos SL-J404-1
Molecular Weight	738.66
Molecular Formula	C48H44FeP2
InChI	NODPGYHIGOCWSG-NYPSMHOZSA-N
InChI Key	InChI=1S/C43H39P2.C5H5.Fe/c1-29-23-30(2)26-36(25-29)44(37-27-31(3)24-32(4)28-37)33(5)38-19-12-22-41(38)45(42-20-10-15-34-13-6-8-17-39(34)42)43-21-11-16-35-14-7-9-18-40(35)43;1-2-4-5-3-1;/h6-28,33H,1-5H3;1-5H;/t33-;;/m0../s1
Appearance	Solid
Isomeric SMILES	CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)[C@@H](C)[C]3[CH][CH][CH][C]3P(C4=CC=CC5=CC=CC=C54)C6=CC=CC7=CC=CC=C76)C.[CH]1[CH][CH][CH][CH]1.[Fe]
Type	Josiphos

Q&A

What is the InChIKey of (R)-(-)-1-[(S)-2-(Di-1-naphthylphosphino)ferrocenyl]ethyldi-3,5-xylylphosphine?

The InChIKey is NODPGYHIGOCWSG-NYPSMHOZSA-N.

How many covalently-bonded units are present in (R)-(-)-1-[(S)-2-(Di-1-naphthylphosphino)ferrocenyl]ethyldi-3,5-xylylphosphine?

There are 3 covalently-bonded units present in (R)-(-)-1-[(S)-2-(Di-1-naphthylphosphino)ferrocenyl]ethyldi-3,5-xylylphosphine.

What is the molecular formula of (R)-(-)-1-[(S)-2-(Di-1-naphthylphosphino)ferrocenyl]ethyldi-3,5-xylylphosphine?

The molecular formula is C48H44FeP2.

What is the exact mass of (R)-(-)-1-[(S)-2-(Di-1-naphthylphosphino)ferrocenyl]ethyldi-3,5-xylylphosphine?

The exact mass is 738.226761 g/mol.

How many defined atom stereocenters are present in (R)-(-)-1-[(S)-2-(Di-1-naphthylphosphino)ferrocenyl]ethyldi-3,5-xylylphosphine?

There is 1 defined atom stereocenter in (R)-(-)-1-[(S)-2-(Di-1-naphthylphosphino)ferrocenyl]ethyldi-3,5-xylylphosphine.

What is the Canonical SMILES representation of (R)-(-)-1-[(S)-2-(Di-1-naphthylphosphino)ferrocenyl]ethyldi-3,5-xylylphosphine?

The Canonical SMILES is CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C(C)[C]3[CH][CH][CH][C]3P(C4=CC=CC5=CC=CC=C54)C6=CC=CC7=CC=CC=C76)C.[CH]1[CH][CH][CH][CH]1.[Fe]

Is there a hydrogen bond acceptor present in (R)-(-)-1-[(S)-2-(Di-1-naphthylphosphino)ferrocenyl]ethyldi-3,5-xylylphosphine?

No, there are no hydrogen bond acceptors present.

What is the computed properties complexity value of (R)-(-)-1-[(S)-2-(Di-1-naphthylphosphino)ferrocenyl]ethyldi-3,5-xylylphosphine?

The complexity value is 862.

How many rotatable bonds are present in (R)-(-)-1-[(S)-2-(Di-1-naphthylphosphino)ferrocenyl]ethyldi-3,5-xylylphosphine?

There are 7 rotatable bonds present.