(R)-4,4'-Bis(bis(3,5-dimethylphenyl)phosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine

Catalog Number	ACM442905331-2
CAS	442905-33-1
Structure
Synonyms	(R)-XYLYL-P-PHOS
IUPAC Name	[3-[4-bis(3,5-dimethylphenyl)phosphanyl-2,6-dimethoxypyridin-3-yl]-2,6-dimethoxypyridin-4-yl]-bis(3,5-dimethylphenyl)phosphane
Molecular Weight	756.85
Molecular Formula	C46H50N2O4P2
InChI	JRTHAKOHBMETRC-UHFFFAOYSA-N
InChI Key	InChI=1S/C46H50N2O4P2/c1-27-13-28(2)18-35(17-27)53(36-19-29(3)14-30(4)20-36)39-25-41(49-9)47-45(51-11)43(39)44-40(26-42(50-10)48-46(44)52-12)54(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38/h13-26H,1-12H3
Boiling Point	791.1±60.0 °C(Predicted)
Melting Point	190-194 °C
Purity	98%
Appearance	Solid
Isomeric SMILES	CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=NC(=C3C4=C(N=C(C=C4P(C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)OC)OC)OC)OC)C
pKa	-1.76±0.38(Predicted)

Q&A

What is the CAS number for (R)-4,4'-Bis(bis(3,5-dimethylphenyl)phosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine?

The CAS numbers are 443347-10-2 and 442905-33-1.

What is the Canonical SMILES for (R)-4,4'-Bis(bis(3,5-dimethylphenyl)phosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine?

CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=NC(=C3C4=C(N=C(C=C4P(C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)OC)OC)OC)OC)C

How many Heavy Atom Count are there in (R)-4,4'-Bis(bis(3,5-dimethylphenyl)phosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine?

There are 54 heavy atoms in (R)-4,4'-Bis(bis(3,5-dimethylphenyl)phosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine.

What is the XLogP3 value of (R)-4,4'-Bis(bis(3,5-dimethylphenyl)phosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine?

The XLogP3 value is 10.9.

What is the IUPAC Name of (R)-4,4'-Bis(bis(3,5-dimethylphenyl)phosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine?

The IUPAC Name is [3-[4-bis(3,5-dimethylphenyl)phosphanyl-2,6-dimethoxy-pyridin-3-yl]-2,6-dimethoxy-pyridin-4-yl]-bis(3,5-dimethylphenyl)phosphane.

What is the InChIKey of (R)-4,4'-Bis(bis(3,5-dimethylphenyl)phosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine?

The InChIKey is JRTHAKOHBMETRC-UHFFFAOYSA-N.

What is the Molecular Weight of (R)-4,4'-Bis(bis(3,5-dimethylphenyl)phosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine?

The Molecular Weight is 756.8 g/mol.

What is the Monoisotopic Mass of (R)-4,4'-Bis(bis(3,5-dimethylphenyl)phosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine?

The Monoisotopic Mass is 756.32458208.

What are some synoynms of (R)-4,4'-Bis(bis(3,5-dimethylphenyl)phosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine?

Some synonyms include Xyl-p-phos, (R)-, (R)-Xyl-p-phos, (S)-Xyl-p-phos, and (R)-(+)-2,2',6,6'-Tetramethoxy-4,4'-bis(di(3,5-xylyl)phosphino)-3,3'-bipyridine.

What is the UNII number for (R)-4,4'-Bis(bis(3,5-dimethylphenyl)phosphino)-2,2',6,6'-tetramethoxy-3,3'-bipyridine?

The UNII number is 1A4EO1493Y.