Basic information
- CAS
89537-13-3- Standard SMILES
CC(OP(=O)(CCCCc1ccccc1)OCc1ccccc1)C(=O)O- InChIKey
GRXQPRMUOZBLIL-UHFFFAOYSA-N- Molecular formula
- C20H25O5P
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.14396089
Names & identifiers
- Preferred name
- 2-{[(Benzyloxy)(4-phenylbutyl)phosphoryl]oxy}propanoic acid
- IUPAC
- 2-[4-phenylbutyl(phenylmethoxy)phosphoryl]oxypropanoic acid
Names & synonyms
89537-13-3SCHEMBL7348995DTXSID106031872-{[(Benzyloxy)(4-phenylbutyl)phosphoryl]oxy}propanoic acid
Database identifiers
- CAS
89537-13-3- PubChem CID
- 20163591
- DTXSID
DTXSID10603187
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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