Basic information
- CAS
83922-30-9- Standard SMILES
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)CC(C)C- InChIKey
PHUWYURXTZTBJY-UHFFFAOYSA-N- Molecular formula
- C28H60NO5P
- Average molar mass
- 521.8 g/mol
- Monoisotopic mass
- 521.42091101
Overview
RN given refers to cpd without isomeric designation; structure given in first source
Names & identifiers
- Preferred name
- 2-Isobutyl-platelet activating factor
- IUPAC
- [2-(hexadecoxymethyl)-4-methylpentyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 2-isobutyl-platelet activating factor
- Molecular formula
- C28H60NO5P
- Molecular weight
- 521.76
Names & synonyms
2-Isobutyl-platelet activating factor2-Isobutyl-paf83922-30-93,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-(2-methylpropyl)-, hydroxide, inner salt, 4-oxideRefChem:877053,5,9-Trioxa-4 phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-(2-methylpropyl)-, hydroxide, inner salt, (+-)-[2-(hexadecoxymethyl)-4-methylpentyl] 2-(trimethylazaniumyl)ethyl phosphateDTXSID7010040863,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-(2-methylpropyl)-, hydroxide, inner salt, (+-)-2-[(Hexadecyloxy)methyl]-4-methylpentyl 2-(trimethylazaniumyl)ethyl phosphate
Database identifiers
- CAS
83922-30-9- PubChem CID
- 196264
- DTXSID
DTXSID701004086
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 26
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…