5-(Triphenylphosphoranyl)pentanoic acid

HCID 161237CAS 17814-85-6
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
CPVNCBJFUQQXSU-UHFFFAOYSA-O
Molecular formula
C23H24O2P+
Average molar mass
363.4 g/mol

Names & identifiers

Preferred name
5-(Triphenylphosphoranyl)pentanoic acid
IUPAC
4-carboxybutyl(triphenyl)phosphanium

Names & synonyms

(4-Carboxybutyl)triphenylphosphonium5-(Triphenylphosphoranyl)pentanoic acid41264-12-4SCHEMBL1838985Z6GL79HT95CHEMBL3306011SCHEMBL27410799CPVNCBJFUQQXSU-UHFFFAOYSA-(4-carboxybutyl)triphenylphosphinePhosphonium, (4-carboxybutyl)triphenyl-PD151227(5-hydroxy-5-oxo-pentyl)-triphenyl-phosphonium
Show more names
(5-hydroxy-5-oxopentyl)-triphenylphosphanium bromideInChI=1/C23H23O2P/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2/p+1

Database identifiers

CAS
17814-85-6、41264-12-4
PubChem CID
161237
ChEMBL
CHEMBL3306011
UNII
Z6GL79HT95
Nikkaji
J232.009F

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
8
Heavy atoms
26

Related reactions

24 records
New reaction record

Linked notes

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