4-Hydroxy-3-(p-diazophenylphosphorylcholine) Phenylacetic Acid
Basic information
- CAS
359435-74-8- Standard SMILES
C[N+](C)(C)CCOP(=O)([O-])Oc1ccc(N=Nc2cc(CC(=O)O)ccc2O)cc1- InChIKey
XQACLNDQWKQEOL-UHFFFAOYSA-N- Molecular formula
- C19H24N3O7P
- Average molar mass
- 437.4 g/mol
- Monoisotopic mass
- 437.13518711
Names & identifiers
- Preferred name
- 4-Hydroxy-3-(p-diazophenylphosphorylcholine) Phenylacetic Acid
- IUPAC
- [4-[[5-(carboxymethyl)-2-hydroxyphenyl]diazenyl]phenyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 4-Hydroxy-3-(p-diazophenylphosphorylcholine) Phenylacetic Acid
- Molecular formula
- C19H24N3O7P
- Molecular weight
- 0
Names & synonyms
359435-74-84-Hydroxy-3-(p-diazophenylphosphorylcholine) Phenylacetic Acid[4-[[5-(Carboxymethyl)-2-hydroxyphenyl]diazenyl]phenyl] 2-(trimethylazaniumyl)ethyl phosphate4-((5-(Carboxymethyl)-2-hydroxyphenyl)diazenyl)phenyl (2-(trimethylammonio)ethyl) phosphateEthanaminium, 2-[[[4-[2-[5-(carboxymethyl)-2-hydroxyphenyl]diazenyl]phenoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt; Ethanaminium, 2-[[[4-[[5-(carboxymethyl)-2-hydroxyphenyl]azo]phenoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt (9CI); 4-Hydroxy-3-(p-diazophenylphosphorylcholine)phenylacetic acidDTXSID904217404-{(2Z)-2-[3-(Carboxymethyl)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazin-1-yl}phenyl 2-(trimethylazaniumyl)ethyl phosphate4-{(2Z)-2-[3-(Carboxymethyl)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl}phenyl 2-(trimethylazaniumyl)ethyl phosphate2-[[[4-[[5-(CarboxyMethyl)-2-hydroxyphenyl]azo]phenoxy]hydroxyphosphinyl]oxy]-N,N,N-triMethyl-ethanaMiniuM
Database identifiers
- CAS
359435-74-8- PubChem CID
- 4155865
- DTXSID
DTXSID90421740
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 624
Physicochemical properties
- storage temp.
- Refrigerator
- solubility
- soluble in Methanol, Water
- form
- Solid
- color
- Golden to Orange
- CAS DataBase Reference
- 359435 · 359435-74-8
- Comptox DTXSID
- 90421740 · DTXSID90421740
Chemistry & industry
Applications
UsesMay be coupled via the hydroxy succinimido ester for haptenation of biological carriers.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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