2,6,7-Trioxa-1-phosphabicyclo2.2.2octane-4-methanol, 1-oxide

• CAS: 5301-78-0
• Catalog Number: ACM5301780
• Category: Organic Phosphine Compounds
• Molecular Weight: 180.096g/mol
• Molecular Formula: C5H9O5P
• Synonyms: 7507AB; 1-Oxo-1-phospha-2,6,7-trioxabicyclo[2.2.2]octane-4-methanol; RW2269; FT-0689985; AC1L58DZ; ZINC3641631; 4-Hydroxymethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-oxide; KS-000000H7; GC10184; FCH843900
• IUPAC Name: (1-oxo-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol
• Canonical SMILES: C1C2(COP(=O)(O1)OC2)CO
• InChI: InChI=1S/C5H9O5P/c6-1-5-2-8-11(7,9-3-5)10-4-5/h6H,1-4H2
• InChI Key: YASRHLDAFCMIPB-UHFFFAOYSA-N
• Application: suzuki reaction
• Complexity: 184
• Covalently-Bonded Unit Count: 1
• EC Number: 416-540-9
• Exact Mass: 180.019g/mol
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• Heavy Atom Count: 11
• Monoisotopic Mass: 180.019g/mol
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 65A^2

Custom Q&A

What is the PubChem CID of 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol, 1-oxide?

The PubChem CID is 199942.

What is the molecular formula of 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol, 1-oxide?

The molecular formula is C5H9O5P.

What is the molecular weight of 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol, 1-oxide?

The molecular weight is 180.10 g/mol.

What is the IUPAC name of 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol, 1-oxide?

The IUPAC name is (1-oxo-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol.

What is the InChI of 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol, 1-oxide?

The InChI is InChI=1S/C5H9O5P/c6-1-5-2-8-11(7,9-3-5)10-4-5/h6H,1-4H2.

What is the InChIKey of 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol, 1-oxide?

The InChIKey is YASRHLDAFCMIPB-UHFFFAOYSA-N.

What is the canonical SMILES of 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol, 1-oxide?

The canonical SMILES is C1C2(COP(=O)(O1)OC2)CO.

What is the CAS number of 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol, 1-oxide?

The CAS number is 5301-78-0.

What is the European Community (EC) number of 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol, 1-oxide?

The European Community (EC) number is 416-540-9.

What is the hydrogen bond acceptor count of 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol, 1-oxide?

The hydrogen bond acceptor count is 5.