2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol

Catalog Number	ACM2416226974
CAS	2416226-97-4
Structure
Synonyms	(R,R)-BaryPhos
IUPAC Name	2-[(2R,3R)-3-tert-butyl-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2H-1,3-benzoxaphosphol-2-yl]propan-2-ol
Molecular Weight	524.68
Molecular Formula	C32H45O4P
InChI	CHOYNURMAGXWEY-JOCIVYRRSA-N
InChI Key	InChI=1S/C32H45O4P/c1-31(2,3)37-29-22(17-12-18-25(29)36-30(37)32(4,5)33)26-27(34-6)23(20-13-8-9-14-20)19-24(28(26)35-7)21-15-10-11-16-21/h12,17-21,30,33H,8-11,13-16H2,1-7H3/t30-,37-/m1/s1
Boiling Point	599.6±50.0 °C(Predicted)
Purity	97%
Appearance	Solid
Isomeric SMILES	CC(C)(C)[P@]1[C@@H](OC2=CC=CC(=C21)C3=C(C(=CC(=C3OC)C4CCCC4)C5CCCC5)OC)C(C)(C)O
pKa	14.07±0.29(Predicted)

Q&A

What is the molecular formula of 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol?

The molecular formula of 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol is C32H45O4P.

What is the molecular weight of 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol?

The molecular weight of 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol is 524.7g/mol.

What is the exact mass of 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol?

The exact mass of 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol is 524.30554691.

What is the IUPAC name of 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol?

The IUPAC name of 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol is 2-[(2R,3R)-3-tert-butyl-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2H-1,3-benzoxaphosphol-2-yl]propan-2-ol.

How many covalently-bonded units are there in 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol?

There is 1 covalently-bonded unit in 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol.

What is the XLogP3 value of 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol?

The XLogP3 value of 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol is 7.9.

How many hydrogen bond acceptors are there in 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol?

There are 4 hydrogen bond acceptors in 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol.

What is the canonical SMILES representation of 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol?

The canonical SMILES representation of 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol is CC(C)(C)P1C(OC2=CC=CC(=C21)C3=C(C(=CC(=C3OC)C4CCCC4)C5CCCC5)OC)C(C)(C)O.

What is the name of 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol stored in the database?

2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol is stored with the name "2-((2R,3R)-3-(tert-Butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol".

What is the InChIKey of 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol?

The InChIKey of 2-((2R,3R)-3-(Tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol is CHOYNURMAGXWEY-JOCIVYRRSA-N.