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

Catalog Number	ACM2301856539
CAS	2301856-53-9
Synonyms	(2R,2'R,3R,3'R)-Ph-BIBOP
IUPAC Name	(2R,3R)-3-tert-butyl-2-[(2R,3R)-3-tert-butyl-4-phenyl-2H-1,3-benzoxaphosphol-2-yl]-4-phenyl-2H-1,3-benzoxaphosphole
Molecular Weight	538.60
Molecular Formula	C34H36O2P2
InChI	PXMPZIBJGLMMQU-IWIDZHLOSA-N
InChI Key	InChI=1S/C34H36O2P2/c1-33(2,3)37-29-25(23-15-9-7-10-16-23)19-13-21-27(29)35-31(37)32-36-28-22-14-20-26(24-17-11-8-12-18-24)30(28)38(32)34(4,5)6/h7-22,31-32H,1-6H3/t31-,32-,37-,38-/m1/s1
Purity	97%
Appearance	Solid
Isomeric SMILES	CC(C)(C)[P@]1[C@@H](OC2=CC=CC(=C21)C3=CC=CC=C3)[C@@H]4OC5=CC=CC(=C5[P@]4C(C)(C)C)C6=CC=CC=C6

Q&A

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

The molecular formula is C34H36O2P2.

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

The molecular weight is 538.6g/mol.

How many hydrogen bond acceptor counts are there in the computed properties of the compound?

There are 2 hydrogen bond acceptor counts.

What is the Canonical SMILES representation of the compound?

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

How many covalently-bonded units are in the computed properties of the compound?

There is 1 covalently-bonded unit.

What is the computed XLogP3 value for (2R,2'R,3R,3'R)-3,3'-Di-tert-butyl-4,4'-diphenyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

The XLogP3 value is 7.8.

What is the IUPAC name of the compound?

The IUPAC name is (2R,3R)-3-tert-butyl-2-[(2R,3R)-3-tert-butyl-4-phenyl-2H-1,3-benzoxaphosphol-2-yl]-4-phenyl-2H-1,3-benzoxaphosphole.

What is the depositor-supplied synonyms of (2R,2'R,3R,3'R)-3,3'-Di-tert-butyl-4,4'-diphenyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

The depositor-supplied synonyms include CS-0091047 and D75386.

What is the 3D-structure of the compound (2R,2'R,3R,3'R)-3,3'-Di-tert-butyl-4,4'-diphenyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

The 3D-conformer of the compound can be found at the link provided.

How many heavy atoms are present in the computed properties of the compound?

There are 38 heavy atoms.