Di-tert-butyl((2S,3S)-3-(tert-butyl)-4-isopropoxy-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide

Catalog Number	ACM2374143323
CAS	2374143-32-3
Synonyms	(2S,3S)-2-[Bis(1,1-dimethylethyl)phosphinyl]-4-isopropoxy-3-(1,1-dimethylethyl)-2,3-dihydro-1,3-benzoxaphosphole
IUPAC Name	(2S,3S)-3-tert-butyl-2-ditert-butylphosphoryl-4-propan-2-yloxy-2H-1,3-benzoxaphosphole
Molecular Weight	412.49
Molecular Formula	C22H38O3P2
InChI	FKHJAXVNWDSMMO-SIBVEZHUSA-N
InChI Key	InChI=1S/C22H38O3P2/c1-15(2)24-16-13-12-14-17-18(16)26(20(3,4)5)19(25-17)27(23,21(6,7)8)22(9,10)11/h12-15,19H,1-11H3/t19-,26-/m0/s1
Boiling Point	537.4±50.0 °C(Predicted)
Purity	97%
Appearance	Solid
Isomeric SMILES	CC(C)OC1=CC=CC2=C1[P@@]([C@H](O2)P(=O)(C(C)(C)C)C(C)(C)C)C(C)(C)C

Q&A

What is the molecular formula of di-tert-butyl((2S,3S)-3-(tert-butyl)-4-isopropoxy-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide?

The molecular formula is C22H38O3P2.

What is the exact mass of di-tert-butyl((2S,3S)-3-(tert-butyl)-4-isopropoxy-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide?

The exact mass is 412.22961907.

How many heavy atoms are in Di-tert-butyl((2S,3S)-3-(tert-butyl)-4-isopropoxy-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide?

There are 27 heavy atoms.

How many hydrogen bond acceptors are present in Di-tert-butyl((2S,3S)-3-(tert-butyl)-4-isopropoxy-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide?

There are 3 hydrogen bond acceptors.

What is the XLogP3 value of Di-tert-butyl((2S,3S)-3-(tert-butyl)-4-isopropoxy-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide?

The XLogP3 value is 4.4.

What is the canonical SMILES representation of Di-tert-butyl((2S,3S)-3-(tert-butyl)-4-isopropoxy-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide?

CC(C)OC1=CC=CC2=C1P(C(O2)P(=O)(C(C)(C)C)C(C)(C)C)C(C)(C)C

Is Di-tert-butyl((2S,3S)-3-(tert-butyl)-4-isopropoxy-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide a Covalently-Bonded Unit?

Yes, it has a Covalently-Bonded Unit Count of 1.

Are there any defined atom stereocenters in Di-tert-butyl((2S,3S)-3-(tert-butyl)-4-isopropoxy-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide?

Yes, there are 2 defined atom stereocenters.

What is the IUPAC name of Di-tert-butyl((2S,3S)-3-(tert-butyl)-4-isopropoxy-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide?

The IUPAC name is (2S,3S)-3-tert-butyl-2-ditert-butylphosphoryl-4-propan-2-yloxy-2H-1,3-benzoxaphosphole.

What is the PubChem CID of di-tert-butyl((2S,3S)-3-(tert-butyl)-4-isopropoxy-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide?

The PubChem CID is 156596989.