(2R,2'R,3R,3'R)-3,3'-Di-tert-butyl-4,4'-bis(2,6-dimethoxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole

Catalog Number	ACM1884680481
CAS	1884680-48-1
Structure
Synonyms	(2R,2'R,3R,3'R)-Bis-BIDIME
IUPAC Name	(2R,3R)-3-tert-butyl-2-[(2R,3R)-3-tert-butyl-4-(2,6-dimethoxyphenyl)-2H-1,3-benzoxaphosphol-2-yl]-4-(2,6-dimethoxyphenyl)-2H-1,3-benzoxaphosphole
Molecular Weight	658.70
Molecular Formula	C38H44O6P2
InChI	OXORIUANWLCHSQ-MNZXOXKBSA-N
InChI Key	InChI=1S/C38H44O6P2/c1-37(2,3)45-33-23(31-25(39-7)17-13-18-26(31)40-8)15-11-21-29(33)43-35(45)36-44-30-22-12-16-24(34(30)46(36)38(4,5)6)32-27(41-9)19-14-20-28(32)42-10/h11-22,35-36H,1-10H3/t35-,36-,45-,46-/m1/s1
Boiling Point	699.0±55.0 °C(Predicted)
Purity	97%
Appearance	Solid
Isomeric SMILES	CC(C)(C)[P@]1[C@@H](OC2=CC=CC(=C21)C3=C(C=CC=C3OC)OC)[C@@H]4OC5=CC=CC(=C5[P@]4C(C)(C)C)C6=C(C=CC=C6OC)OC

Q&A

What is the molecular formula of (2R,2'R,3R,3'R)-3,3'-Di-tert-butyl-4,4'-bis(2,6-dimethoxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole (2R,2'R,3R,3'R)-3,3'-Di-tert-butyl-4,4'-bis(2,6-dimethoxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

The molecular formula is C38H44O6P2.

What is the molecular weight of (2R,2'R,3R,3'R)-3,3'-Di-tert-butyl-4,4'-bis(2,6-dimethoxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

The molecular weight is 658.7g/mol.

What is the exact mass of (2R,2'R,3R,3'R)-3,3'-Di-tert-butyl-4,4'-bis(2,6-dimethoxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

The exact mass is 658.26131311.

How many hydrogen bond acceptors are there in (2R,2'R,3R,3'R)-3,3'-Di-tert-butyl-4,4'-bis(2,6-dimethoxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

There are 6 hydrogen bond acceptors.

How many rotatable bonds are present in (2R,2'R,3R,3'R)-3,3'-Di-tert-butyl-4,4'-bis(2,6-dimethoxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

There are 9 rotatable bonds.

What is the Canonical SMILES representation of (2R,2'R,3R,3'R)-3,3'-Di-tert-butyl-4,4'-bis(2,6-dimethoxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

CC(C)(C)P1C(OC2=CC=CC(=C21)C3=C(C=CC=C3OC)OC)C4OC5=CC=CC(=C5P4C(C)(C)C)C6=C(C=CC=C6OC)OC

What is the IUPAC name of (2R,2'R,3R,3'R)-3,3'-Di-tert-butyl-4,4'-bis(2,6-dimethoxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

(2R,3R)-3-tert-butyl-2-[(2R,3R)-3-tert-butyl-4-(2,6-dimethoxyphenyl)-2H-1,3-benzoxaphosphol-2-yl]-4-(2,6-dimethoxyphenyl)-2H-1,3-benzoxaphosphole

How many covalently-bonded units are there in (2R,2'R,3R,3'R)-3,3'-Di-tert-butyl-4,4'-bis(2,6-dimethoxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

There is 1 covalently-bonded unit.

What is the topological polar surface area of (2R,2'R,3R,3'R)-3,3'-Di-tert-butyl-4,4'-bis(2,6-dimethoxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

The topological polar surface area is 55.4.

What is the InChIKey of (2R,2'R,3R,3'R)-3,3'-Di-tert-butyl-4,4'-bis(2,6-dimethoxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

The InChIKey is OXORIUANWLCHSQ-MNZXOXKBSA-N