(2-carboxy-2-deuterioethyl)-triphenylphosphanium

C21H20O2P+ — CID 139243686

IUPAC(2-carboxy-2-deuterioethyl)-triphenylphosphanium
SMILES[2H]C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C21H19O2P/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2/p+1/i16D
InChIKeyFLYPZWDELZKIOY-QNLPYAOMSA-O
MW336.37 g/mol
LogP3.46
Rot. Bonds6

About (2-carboxy-2-deuterioethyl)-triphenylphosphanium

(2-carboxy-2-deuterioethyl)-triphenylphosphanium (PubChem CID 139243686) has the molecular formula C21H20O2P+ and a molecular weight of 336.37 g/mol. Its IUPAC name is (2-carboxy-2-deuterioethyl)-triphenylphosphanium.

Molecular Properties

Compound Name(2-carboxy-2-deuterioethyl)-triphenylphosphanium
PubChem CID139243686
Molecular FormulaC21H20O2P+
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name(2-carboxy-2-deuterioethyl)-triphenylphosphanium
SMILES[2H]C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C21H19O2P/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2/p+1/i16D
InChIKeyFLYPZWDELZKIOY-QNLPYAOMSA-O
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-carboxyethyl(triphenyl)phosphanium;hydrochloride
CID 87824769
(4-carboxy-3,3,4,4-tetradeuteriobutyl)-triphenylphosphanium bromide
CID 87185959
2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide
CID 102601236
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium
CID 135362746
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
tris(carboxymethyl(triphenyl)phosphanium);ruthenium
CID 154640778
(5-carboxy-3,4-dimethylpentyl)-triphenylphosphanium
CID 86733262
bromomethane;6-carboxyhexyl(triphenyl)phosphanium
CID 177012688
2-carboxyethyl-(4-methylphenyl)-diphenylphosphanium
CID 134958855
3-triphenylphosphaniumylpropanoate;hydrobromide
CID 131665697

Frequently Asked Questions

What is the IUPAC name of (2-carboxy-2-deuterioethyl)-triphenylphosphanium?
The IUPAC name of (2-carboxy-2-deuterioethyl)-triphenylphosphanium (CID 139243686) is (2-carboxy-2-deuterioethyl)-triphenylphosphanium.
What is the SMILES notation for (2-carboxy-2-deuterioethyl)-triphenylphosphanium?
The canonical SMILES for (2-carboxy-2-deuterioethyl)-triphenylphosphanium is [2H]C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2-carboxy-2-deuterioethyl)-triphenylphosphanium?
The InChIKey is FLYPZWDELZKIOY-QNLPYAOMSA-O. The full InChI is InChI=1S/C21H19O2P/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2/p+1/i16D.
What are the key properties of (2-carboxy-2-deuterioethyl)-triphenylphosphanium?
(2-carboxy-2-deuterioethyl)-triphenylphosphanium has a molecular weight of 336.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carboxy-2-deuterioethyl)-triphenylphosphanium is sourced from PubChem (CID 139243686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).