4-Hydroxy-2,6-dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide

Catalog Number	ACM65355160
CAS	65355-16-0
Synonyms	Phosphoric Acid 3,3'-Dimethyl-1,1'-Binaphthalene-2,2'-Diyl Ester
IUPAC Name	13-hydroxy-10,16-dimethyl-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
Molecular Weight	376.34
Molecular Formula	C22H17O4P
InChI	CPPHRGAOJUWAOZ-UHFFFAOYSA-N
InChI Key	InChI=1S/C22H17O4P/c1-13-11-15-7-3-5-9-17(15)19-20-18-10-6-4-8-16(18)12-14(2)22(20)26-27(23,24)25-21(13)19/h3-12H,1-2H3,(H,23,24)
Purity	98%
Isomeric SMILES	CC1=CC2=CC=CC=C2C3=C1OP(=O)(OC4=C3C5=CC=CC=C5C=C4C)O

Q&A

What is the CAS number for 4-Hydroxy-2,6-dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide?

The CAS number is 65355-16-0.

What is the molecular formula of 4-Hydroxy-2,6-dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide?

The molecular formula is C22H17O4P.

What is the computed properties complexity of this compound?

The complexity is 561.

How many hydrogen bond acceptors does the compound have?

It has 4 hydrogen bond acceptors.

What is the IUPAC name of 4-Hydroxy-2,6-dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide?

The IUPAC name is 13-hydroxy-10,16-dimethyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide.

What is the molecular weight of this compound?

The molecular weight is 376.3g/mol.

What is the Canonical SMILES representation of 4-Hydroxy-2,6-dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide?

The Canonical SMILES is CC1=CC2=CC=CC=C2C3=C1OP(=O)(OC4=C3C5=CC=CC=C5C=C4C)O.

How many defined atom stereocenters does the compound have?

It has 0 defined atom stereocenters.

What is the XLogP3 value for this compound?

The XLogP3 value is 5.5.

What is the InChIKey for 4-Hydroxy-2,6-dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide?

The InChIKey is CPPHRGAOJUWAOZ-UHFFFAOYSA-N.