(2S,2'S,3S,3'S)-4,4'-Di(anthracen-9-yl)-3,3'-di-tert-butyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole

Catalog Number	ACM1435940194
CAS	1435940-19-4
Structure
Synonyms	(2S,2S',3S,3S')-WingPhos
IUPAC Name	(2S)-4-anthracen-9-yl-2-[(2S)-4-anthracen-9-yl-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]-3-tert-butyl-2H-1,3-benzoxaphosphole
Molecular Weight	738.83
Molecular Formula	C50H44O2P2
InChI	HDNWNMANFZGXKV-PCWWFIRLSA-N
InChI Key	InChI=1S/C50H44O2P2/c1-49(2,3)53-45-39(43-35-21-11-7-17-31(35)29-32-18-8-12-22-36(32)43)25-15-27-41(45)51-47(53)48-52-42-28-16-26-40(46(42)54(48)50(4,5)6)44-37-23-13-9-19-33(37)30-34-20-10-14-24-38(34)44/h7-30,47-48H,1-6H3/t47-,48-,53?,54?/m0/s1
Purity	97%
Appearance	Solid
Isomeric SMILES	CC(C)(C)P1[C@H](OC2=CC=CC(=C21)C3=C4C=CC=CC4=CC5=CC=CC=C53)[C@H]6OC7=CC=CC(=C7P6C(C)(C)C)C8=C9C=CC=CC9=CC1=CC=CC=C18

Q&A

What is the molecular formula of (2S,2'S,3S,3'S)-4,4'-Di(anthracen-9-yl)-3,3'-di-tert-butyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

The molecular formula is C50H44O2P2.

What is the molecular weight of (2S,2'S,3S,3'S)-4,4'-Di(anthracen-9-yl)-3,3'-di-tert-butyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

The molecular weight is 738.8g/mol.

What is the exact mass of (2S,2'S,3S,3'S)-4,4'-Di(anthracen-9-yl)-3,3'-di-tert-butyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

The exact mass is 738.28165464.

How many heavy atoms does (2S,2'S,3S,3'S)-4,4'-Di(anthracen-9-yl)-3,3'-di-tert-butyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole contain?

It contains 54 heavy atoms.

What is the XLogP3 value of (2S,2'S,3S,3'S)-4,4'-Di(anthracen-9-yl)-3,3'-di-tert-butyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

The XLogP3 value is 12.8.

How many rotatable bonds are present in (2S,2'S,3S,3'S)-4,4'-Di(anthracen-9-yl)-3,3'-di-tert-butyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

There are 5 rotatable bonds.

What is the Canonical SMILES representation of (2S,2'S,3S,3'S)-4,4'-Di(anthracen-9-yl)-3,3'-di-tert-butyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

CC(C)(C)P1C(OC2=CC=CC(=C21)C3=C4C=CC=CC4=CC5=CC=CC=C53)C6OC7=CC=CC(=C7P6C(C)(C)C)C8=C9C=CC=CC9=CC1=CC=CC=C18

What is the InChIKey of (2S,2'S,3S,3'S)-4,4'-Di(anthracen-9-yl)-3,3'-di-tert-butyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

The InChIKey is HDNWNMANFZGXKV-YIYFCYGCSA-N

How many hydrogen bond acceptors are there in (2S,2'S,3S,3'S)-4,4'-Di(anthracen-9-yl)-3,3'-di-tert-butyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

There are 2 hydrogen bond acceptors.

What are some of the depositor-supplied synonyms for (2S,2'S,3S,3'S)-4,4'-Di(anthracen-9-yl)-3,3'-di-tert-butyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole?

Some synonyms include (2S,2'S,3S,3'S)-WingPhos, D72428, and CS-0020506.