(9-Carboxynonyl)triphenyl-phosphonium Bromide (>90%) - CAS 93943-65-8

Catalog:	BB070502
Product Name:	(9-Carboxynonyl)triphenyl-phosphonium Bromide (>90%)
CAS:	93943-65-8
Synonyms:	AP 219

Technical Data

IUPAC Name:	9-carboxynonyl(triphenyl)phosphaniumbromide
Description:	(9-Carboxynonyl)triphenyl-phosphonium Bromide is a compound used to increase the level of hydrogen sulphide within the mitochondria because of the presence of the mitochondria targeting motif (triphenylphosphonium).
Molecular Weight:	513.45
Molecular Formula:	C28H34BrO2P
Canonical SMILES:	C1=CC=C(C=C1)[P+](CCCCCCCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI:	InChI=1S/C28H33O2P.BrH/c29-28(30)23-15-4-2-1-3-5-16-24-31(25-17-9-6-10-18-25,26-19-11-7-12-20-26)27-21-13-8-14-22-27/h6-14,17-22H,1-5,15-16,23-24H21H
InChI Key:	MBBYHWZVGHKEBI-UHFFFAOYSA-N
Melting Point:	112 - 121°C
Solubility:	Chloroform (Slightly), DMSO (Slightly, Heated)
Appearance:	Off-White to Light Beige Solid
Storage:	4°C, Hygroscopic
References:	Szczesny, B., et al. Nitric Oxide : Biology and Chemistry, 41, 120 (2014).

Complexity:	442
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	512.14798
Formal Charge:	0
Heavy Atom Count:	32
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	512.14798
Rotatable Bond Count:	13
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0