Basic information
- CAS
83922-29-6- Standard SMILES
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)C(C)C- InChIKey
SCMZWHITSUKPDU-UHFFFAOYSA-N- Molecular formula
- C27H58NO5P
- Average molar mass
- 507.7 g/mol
- Monoisotopic mass
- 507.40526095
Overview
RN given refers to cpd without isomeric designation; structure given in first source
Names & identifiers
- Preferred name
- 2-Isopropyl-platelet activating factor
- IUPAC
- [2-(hexadecoxymethyl)-3-methylbutyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 2-isopropyl-platelet activating factor
- Molecular formula
- C27H58NO5P
- Molecular weight
- 507.726881
Names & synonyms
2-Isopropyl-platelet activating factor2-Isopropyl-paf83922-29-63,5,9-Trioxa-4-phosphapentacosan 1-aminium, 4-hydroxy-N,N,N-trimethyl-7-(1-methylethyl)-, hydroxide, inner salt, (+-)-3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-(1-methylethyl)-, hydroxide, inner salt, 4-oxideRefChem:87739[2-(hexadecoxymethyl)-3-methylbutyl] 2-(trimethylazaniumyl)ethyl phosphateDTXSID0010040852-[(Hexadecyloxy)methyl]-3-methylbutyl 2-(trimethylazaniumyl)ethyl phosphate
Database identifiers
- CAS
83922-29-6- PubChem CID
- 196262
- DTXSID
DTXSID001004085
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 25
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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