5-Carboxypentyl triphenylphosphonium bromide

• CAS: 50889-29-7
• Catalog Number: ACM50889297-3
• Category: Organic Phosphine Compounds
• Molecular Weight: 457.35
• Molecular Formula: C24H26BrO2P
• Synonyms: (5-Carboxypentyl)(Triphenyl)Phosphonium Bromide
• IUPAC Name: 5-carboxypentyl(triphenyl)phosphanium;bromide
• Canonical SMILES: C1=CC=C(C=C1)[P+](CCCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• InChI: JUWYRPZTZSWLCY-UHFFFAOYSA-N
• InChI Key: InChI=1S/C24H25O2P.BrH/c25-24(26)19-11-4-12-20-27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23;/h1-3,5-10,13-18H,4,11-12,19-20H2;1H
• Melting Point: 197-201 °C
• Appearance: Solid
• Application: (5-Carboxypentyl)(triphenyl)phosphonium bromide is used in medicine and as pharmaceutical intermediate. It is also employed as catalyst.; ; Reactant for:; ; ; ; ; ; Preparation of inhibitor of protein tyrosine phosphatase 1B for treatment of diabetes and obesity.; ; Synthesis of folate receptor-specific glycinamide ribonucleotide formyltransferase inhibitors with antitumor activity.; ; Preparation of peptide nucleic acids (PNA) with high specific activity.; ; Synthesis of roseophilin via Wittig/aldol methodology.
• Complexity: 386
• Covalently-Bonded Unit Count: 2
• Exact Mass: 456.085g/mol
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 28
• Isomeric SMILES: C1=CC=C(C=C1)[P+](CCCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• Monoisotopic Mass: 456.085g/mol
• Rotatable Bond Count: 9
• Topological Polar Surface Area: 37.3A^2

Custom Q&A

What is the CAS number of the compound (5-Carboxypentyl)triphenylphosphonium bromide?

The CAS number is 50889-29-7.

What is the Canonical SMILES representation of (5-Carboxypentyl)triphenylphosphonium bromide?

C1=CC=C(C=C1)[P+](CCCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

What is the molecular weight of (5-Carboxypentyl)triphenylphosphonium bromide?

The molecular weight is 457.3g/mol.

What is the Monoisotopic Mass of (5-Carboxypentyl)triphenylphosphonium bromide?

The Monoisotopic Mass is 456.08538.

How many Heavy Atoms are present in the molecular structure of (5-Carboxypentyl)triphenylphosphonium bromide?

There are 28 Heavy Atoms.

How many Rotatable Bonds are there in (5-Carboxypentyl)triphenylphosphonium bromide?

There are 9 Rotatable Bonds.

What is the InChIKey for (5-Carboxypentyl)triphenylphosphonium bromide?

The InChIKey is JUWYRPZTZSWLCY-UHFFFAOYSA-N.

What are some Depositor-Supplied Synonyms for (5-Carboxypentyl)triphenylphosphonium bromide?

Some synonyms include (5-carboxypentyl)(triphenyl)phosphonium bromide, 5-Carboxypentyltriphenylphosphonium Bromide, etc.

How many Hydrogen Bond Acceptor Counts are there in the molecule of (5-Carboxypentyl)triphenylphosphonium bromide?

There are 3 Hydrogen Bond Acceptor Counts.

What is the IUPAC name of (5-Carboxypentyl)triphenylphosphonium bromide?

The IUPAC name is 5-carboxypentyl(triphenyl)phosphanium;bromide.