2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide

C21H20Br3O2P — CID 102601236

IUPAC2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide
SMILESBrBr.O=C(O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C21H19O2P.Br2.BrH/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;1-2;/h1-15H,16-17H2;;1H
InChIKeyUWXWGCUVIHGBLD-UHFFFAOYSA-N
MW575.08 g/mol
LogP2.15
Rot. Bonds6

About 2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide

2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide (PubChem CID 102601236) has the molecular formula C21H20Br3O2P and a molecular weight of 575.08 g/mol. Its IUPAC name is 2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide.

Molecular Properties

Compound Name2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide
PubChem CID102601236
Molecular FormulaC21H20Br3O2P
Molecular Weight575.08 g/mol
Exact Mass571.88
IUPAC Name2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide
SMILESBrBr.O=C(O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C21H19O2P.Br2.BrH/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;1-2;/h1-15H,16-17H2;;1H
InChIKeyUWXWGCUVIHGBLD-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.08
LogP ≤ 52.15
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
2-carboxyethyl-(4-methylphenyl)-diphenylphosphanium
CID 134958855
bromomethane;6-carboxyhexyl(triphenyl)phosphanium
CID 177012688
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
(3-methoxy-3-oxopropyl)-triphenylphosphanium
CID 6332300
3-triphenylphosphaniumylpropanoate;hydrobromide
CID 131665697
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium
CID 135362746
(2-carboxy-2-deuterioethyl)-triphenylphosphanium
CID 139243686
2-hydroxyethyl(triphenyl)phosphanium bromide
CID 2733550
[6-(diaminomethylideneamino)-3-oxohexyl]-triphenylphosphanium bromide
CID 167553273
2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium
CID 138521982

Frequently Asked Questions

What is the IUPAC name of 2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide?
The IUPAC name of 2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide (CID 102601236) is 2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide.
What is the SMILES notation for 2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide?
The canonical SMILES for 2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide is BrBr.O=C(O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide?
The InChIKey is UWXWGCUVIHGBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O2P.Br2.BrH/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;1-2;/h1-15H,16-17H2;;1H.
What are the key properties of 2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide?
2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide has a molecular weight of 575.08 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide is sourced from PubChem (CID 102601236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).