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

Catalog Number	ACM2207601123
CAS	2207601-12-3
Structure
Synonyms	(2S,2'S,3S,3'S)-DI-iPr-BABIBOP; (2S,3S)-3-tert-butyl-4-[(2S,3S)-3-tert-butyl-2-propan-2-yl-2H-1,3-benzoxaphosphol-4-yl]-2-propan-2-yl-2H-1,3-benzoxaphosphole
IUPAC Name	(2S,3S)-3-tert-butyl-4-[(2S,3S)-3-tert-butyl-2-propan-2-yl-2H-1,3-benzoxaphosphol-4-yl]-2-propan-2-yl-2H-1,3-benzoxaphosphole
Molecular Weight	470.57
Molecular Formula	C28H40O2P2
InChI	IVUFJBFLMHJRJL-MCZNPFQCSA-N
InChI Key	InChI=1S/C28H40O2P2/c1-17(2)25-29-21-15-11-13-19(23(21)31(25)27(5,6)7)20-14-12-16-22-24(20)32(28(8,9)10)26(30-22)18(3)4/h11-18,25-26H,1-10H3/t25-,26-,31-,32-/m0/s1
Purity	97%
Appearance	Solid
Isomeric SMILES	CC(C)[C@H]1OC2=CC=CC(=C2[P@@]1C(C)(C)C)C3=C4C(=CC=C3)O[C@@H]([P@]4C(C)(C)C)C(C)C

Q&A

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

The exact mass of (2S,2'S,3S,3'S)-3,3'-Di-tert-butyl-2,2'-diisopropyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole is 470.25035451 g/mol.

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

The IUPAC name of (2S,2'S,3S,3'S)-3,3'-Di-tert-butyl-2,2'-diisopropyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole is (2S,3S)-3-tert-butyl-4-[(2S,3S)-3-tert-butyl-2-propan-2-yl-2H-1,3-benzoxaphosphol-4-yl]-2-propan-2-yl-2H-1,3-benzoxaphosphole.

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

There is 1 covalently-bonded unit in (2S,2'S,3S,3'S)-3,3'-Di-tert-butyl-2,2'-diisopropyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole.

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

The molecular formula of (2S,2'S,3S,3'S)-3,3'-Di-tert-butyl-2,2'-diisopropyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole is C28H40O2P2.

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

The canonical SMILES of (2S,2'S,3S,3'S)-3,3'-Di-tert-butyl-2,2'-diisopropyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole is CC(C)C1OC2=CC=CC(=C2P1C(C)(C)C)C3=C4C(=CC=C3)OC(P4C(C)(C)C)C(C)C.

How many defined atom stereocenters are there in (2S,2'S,3S,3'S)-3,3'-Di-tert-butyl-2,2'-diisopropyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole?

There are 4 defined atom stereocenters in (2S,2'S,3S,3'S)-3,3'-Di-tert-butyl-2,2'-diisopropyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole.

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

(2S,2'S,3S,3'S)-3,3'-Di-tert-butyl-2,2'-diisopropyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole is also known as (2S,2'S,3S,3'S)-DI-iPr-BABIBOP.

What is the Computed Properties XLogP3 value of (2S,2'S,3S,3'S)-3,3'-Di-tert-butyl-2,2'-diisopropyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole?

The Computed Properties XLogP3 value of (2S,2'S,3S,3'S)-3,3'-Di-tert-butyl-2,2'-diisopropyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole is 7.1.

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

The Monoisotopic Mass of (2S,2'S,3S,3'S)-3,3'-Di-tert-butyl-2,2'-diisopropyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole is 470.25035451 g/mol.

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

The topological polar surface area of (2S,2'S,3S,3'S)-3,3'-Di-tert-butyl-2,2'-diisopropyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole is 18.5.