(11bS)-4-Methoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine

Catalog Number	ACM321546810
CAS	321546-81-0
Synonyms	S-BINOL-MOP
IUPAC Name	13-methoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
Molecular Weight	346.32
Molecular Formula	C21H15O3P
InChI	XRCJOWMGXYFERD-UHFFFAOYSA-N
InChI Key	InChI=1S/C21H15O3P/c1-22-25-23-18-12-10-14-6-2-4-8-16(14)20(18)21-17-9-5-3-7-15(17)11-13-19(21)24-25/h2-13H,1H3
Purity	98%
Isomeric SMILES	COP1OC2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54

Q&A

What is the Canonical SMILES for (11bS)-4-Methoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The Canonical SMILES is COP1OC2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54.

What is the Computed Properties Complexity of (11bS)-4-Methoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The Computed Properties Complexity is 432.

How many Covalently-Bonded Unit Count does (11bS)-4-Methoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine have?

It has 1 Covalently-Bonded Unit Count.

What is the Molecular Weight of (11bS)-4-Methoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The Molecular Weight is 346.3g/mol.

What is the Monoisotopic Mass of (11bS)-4-Methoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The Monoisotopic Mass is 346.07588133.

What is the IUPAC Name of (11bS)-4-Methoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

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

What is the InChIKey for (11bS)-4-Methoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The InChIKey is XRCJOWMGXYFERD-UHFFFAOYSA-N.

How many Hydrogen Bond Acceptor Count does (11bS)-4-Methoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine have?

It has 3 Hydrogen Bond Acceptor Count.

What is the XLogP3 value for (11bS)-4-Methoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The XLogP3 value is 5.9.

What is the Depositor-Supplied Synonyms for (11bS)-4-Methoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The Depositor-Supplied Synonyms are 321546-81-0, SCHEMBL13443552, and CS-0090934.