(2S,3S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole

Catalog Number	ACM2227217221
CAS	2227217-22-1
IUPAC Name	(2S,3S)-3-tert-butyl-4-(2,6-dimethoxyphenyl)-2-(2-methoxypropan-2-yl)-2H-1,3-benzoxaphosphole
Molecular Weight	402.47
Molecular Formula	C23H31O4P
InChI	APINUOMEGRQMFN-KMRXNPHXSA-N
InChI Key	InChI=1S/C23H31O4P/c1-22(2,3)28-20-15(19-16(24-6)12-10-13-17(19)25-7)11-9-14-18(20)27-21(28)23(4,5)26-8/h9-14,21H,1-8H3/t21-,28-/m0/s1
Purity	97%
Appearance	Solid
Isomeric SMILES	CC(C)(C)[P@@]1[C@H](OC2=CC=CC(=C21)C3=C(C=CC=C3OC)OC)C(C)(C)OC

Q&A

What is the molecular formula of (2S,3S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The molecular formula is C23H31O4P.

What is the molecular weight of (2S,3S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The molecular weight is 402.5g/mol.

What is the exact mass of (2S,3S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The exact mass is 402.19599646.

How many hydrogen bond acceptors are there in (2S,3S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

There are 4 hydrogen bond acceptors.

How many defined atom stereocenters are there in (2S,3S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

There are 2 defined atom stereocenters.

What is the Canonical SMILES representation of (2S,3S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The Canonical SMILES is CC(C)(C)P1C(OC2=CC=CC(=C21)C3=C(C=CC=C3OC)OC)C(C)(C)OC.

In the InChI representation, what does /m0/s1 signify?

/m0/s1 in the InChI representation signifies that (2S,3S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole has no stereochemistry.

How many rotatable bonds are there in (2S,3S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

There are 6 rotatable bonds.

What is the XLogP3 value of (2S,3S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole?

The XLogP3 value is 4.4.

What is the chemical name of (2S,3S)-3-(Tert-butyl)-4-(2,6-dimethoxyphenyl)-2-(2-methoxypropan-2-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole according to the IUPAC name?

The IUPAC name is (2S,3S)-3-tert-butyl-4-(2,6-dimethoxyphenyl)-2-(2-methoxypropan-2-yl)-2H-1,3-benzoxaphosphole.