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

Catalog Number	ACM2207601043
CAS	2207601-04-3
Structure
Synonyms	(3S,3'S)-BABIBOP; (3S)-3-tert-butyl-4-[(3S)-3-tert-butyl-2H-1,3-benzoxaphosphol-4-yl]-2H-1,3-benzoxaphosphole
IUPAC Name	(3S)-3-tert-butyl-4-[(3S)-3-tert-butyl-2H-1,3-benzoxaphosphol-4-yl]-2H-1,3-benzoxaphosphole
Molecular Weight	386.41
Molecular Formula	C22H28O2P2
InChI	CKHIWGYUNCCXKO-CLJLJLNGSA-N
InChI Key	InChI=1S/C22H28O2P2/c1-21(2,3)25-13-23-17-11-7-9-15(19(17)25)16-10-8-12-18-20(16)26(14-24-18)22(4,5)6/h7-12H,13-14H2,1-6H3/t25-,26-/m1/s1
Boiling Point	528.0±50.0 °C(Predicted)
Purity	97%
Appearance	Solid
Isomeric SMILES	CC(C)(C)[P@@]1COC2=CC=CC(=C21)C3=C4C(=CC=C3)OC[P@]4C(C)(C)C

Q&A

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

The molecular formula is C22H28O2P2.

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

The molecular weight is 386.4g/mol.

What is the InChIKey for (3S,3'S)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole?

The InChIKey is CKHIWGYUNCCXKO-CLJLJLNGSA-N.

What are the Computed Properties of the (3S,3'S)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole?

Some computed properties are Complexity, Heavy Atom Count, Rotatable Bond Count, Topological Polar Surface Area, etc.

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

The Canonical SMILES is CC(C)(C)P1COC2=CC=CC(=C21)C3=C4C(=CC=C3)OCP4C(C)(C)C.

How many hydrogen bond acceptors does (3S,3'S)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole have?

It has 2 hydrogen bond acceptors.

What is a depositor-supplied synonym for (3S,3'S)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole?

One of the synonyms is SCHEMBL20212379.

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

The exact mass is 386.15645413.

Is (3S,3'S)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole a chiral molecule?

Yes, it has defined atom stereocenter count of 2.

Can you provide the IUPAC name for (3S,3'S)-3,3'-Di-tert-butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole?

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