(S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldi(3,5-xylyl)phosphine

Catalog Number	ACM849925219-1
CAS	849925-21-9
Structure
Synonyms	Walphos SL-W006-1; (S)-1-[(S)-1-[Bis(3,5-Xylyl)Phosphino]Ethyl]-2-[2- (Diphenylphosphino)Phenyl]Ferrocene
Molecular Weight	714.63
Molecular Formula	C46H44FeP2
InChI	SPJXDOOLGLNVOP-UHFFFAOYSA-N
InChI Key	InChI=1S/C41H39P2.C5H5.Fe/c1-29-23-30(2)26-36(25-29)42(37-27-31(3)24-32(4)28-37)33(5)38-20-14-21-39(38)40-19-12-13-22-41(40)43(34-15-8-6-9-16-34)35-17-10-7-11-18-35;1-2-4-5-3-1;/h6-28,33H,1-5H3;1-5H;
Purity	98%
Appearance	Solid
Isomeric SMILES	CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C(C)[C]3[CH][CH][CH][C]3C4=CC=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)C.[CH]1[CH][CH][CH][CH]1.[Fe]
Type	Walphos

Q&A

What is the canonical SMILES representation of (S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldi(3,5-xylyl)phosphine?

CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C(C)[C]3[CH][CH][CH][C]3C4=CC=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)C.[CH]1[CH][CH][CH][CH]1.[Fe]

How many covalently-bonded units are in (S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldi(3,5-xylyl)phosphine?

3

What is the exact mass of (S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldi(3,5-xylyl)phosphine?

714.226761 g/mol

What is the molecular formula of (S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldi(3,5-xylyl)phosphine?

C46H44FeP2

How many defined atom stereocenters are in (S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldi(3,5-xylyl)phosphine?

1

What is the molecular weight of (S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldi(3,5-xylyl)phosphine?

714.6 g/mol

How many rotatable bonds are in (S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldi(3,5-xylyl)phosphine?

8

What is the InChI key of (S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldi(3,5-xylyl)phosphine?

SPJXDOOLGLNVOP-NYPSMHOZSA-N

What is the depositor-supplied synonym for (S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldi(3,5-xylyl)phosphine?

(S)-1-[(S)-1-[Bis(3,5-xylyl)phosphino]ethyl]-2-[2-(diphenylphosphino)phenyl]ferrocene

How many hydrogen bond acceptors are in (S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldi(3,5-xylyl)phosphine?

0.