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(9-Carboxynonyl)triphenylphosphonium

HCID 18795072
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Basic information

CAS
779282-36-9
Standard SMILES
O=C(O)CCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
VOOZXZVXPXRBBF-UHFFFAOYSA-O
Molecular formula
C28H34O2P+
Average molar mass
433.5 g/mol
Monoisotopic mass
433.22964232

Names & identifiers

Preferred name
(9-Carboxynonyl)triphenylphosphonium
IUPAC
9-carboxynonyl(triphenyl)phosphanium
English name
AP219
Molecular formula
C28H34O2P+
Molecular weight
433.55

Names & synonyms

779282-36-9AP219(9-Carboxynonyl)triphenylphosphonium9-carboxynonyl(triphenyl)phosphanium(9-Carboxynonyl)triphenyl-phosphoniumAP 219(9-Carboxynonyl)triphenyl-phosphonium Bromide (>90%)orb1693915CHEMBL3582497SCHEMBL20859564SCHEMBL29484169C28H34O2P+
Show more names
AP219(solution in dichloromethane)
9-carboxynonyl(triphenyl)phosphoniumAKOS040755143HY-129303CS-0104691T36240

Database identifiers

CAS
779282-36-9
PubChem CID
18795072
ChEMBL
CHEMBL3582497
Nikkaji
J2.415.963I

Properties

Computed structural propertiesFilling in

XLogP
7.4
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
13
Heavy atoms
31
Formal charge
1
Complexity
442

Physicochemical properties

storage temp.
-20 °C · Store at -20°C
solubility
10 mg/ml; · DMF: 10 mg/ml; DMSO: 20 mg/ml; Ethanol: 15 mg/ml; PBS (pH 7.2): 1 mg/ml
Symbol(GHS)
8 · GHS08
Signal word
Warning

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS08

Chemistry & industry

Applications · 2 items

DescriptionAP39 is a compound used to increase the levels of hydrogen sulfide (H2S) within mitochondria. It consists of a mitochondria-targeting motif (triphenylphosphonium) coupled to an H2S-donating moiety (dithiolethione) by an aliphatic linker. AP219 is a control compound for AP39, containing the triphenylphosphonium scaffold but lacking the H2S-releasing portion.

UsesAP39 is a compound used to increase the levels of hydrogen sulfide (H2S) within mitochondria. It consists of a mitochondria-targeting motif (triphenylphosphonium) coupled to an H2S-donating moiety (dithiolethione) by an aliphatic linker. AP219 is a control compound for AP39, containing the triphenylphosphonium scaffold but lacking the H2S-releasing portion.[Cayman Chemical]

Related reactions

1 records
New reaction record
HRID 1549916 reaction equation
HRID 1549916As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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