(3-Carboxypropyl)triphenylphosphonium

HCID 4429808

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 151310-36-0
Standard SMILES: O=C(O)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: WFPBWVIGMPXUGH-UHFFFAOYSA-O
Molecular formula: C22H22O2P+
Average molar mass: 349.4 g/mol
Monoisotopic mass: 349.13519299

Names & identifiers

Preferred name: (3-Carboxypropyl)triphenylphosphonium
IUPAC: 3-carboxypropyl(triphenyl)phosphanium

Names & synonyms

(3-Carboxypropyl)triphenylphosphoniumDTXSID601016030151310-36-0RefChem:207589DTXCID80856067SCHEMBL838217CHEMBL4303036SCHEMBL31204098(3-Carboxypropyl)(triphenyl)phosphanium

Database identifiers

CAS: 151310-36-0
PubChem CID: 4429808
DTXSID: DTXSID601016030
ChEMBL: CHEMBL4303036
Nikkaji: J1.706.905E

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 1
Complexity: 359

Related reactions

15 records

New reaction record

HRID 91881As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 101388As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 145280As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 185355As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 204198As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 310139As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 669996As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 676289As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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