Basic information
- CAS
7598-64-3- Standard SMILES
CCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCC- InChIKey
IEMUOVBWPOMLKU-UHFFFAOYSA-N- Molecular formula
- C22H47O4P
- Average molar mass
- 406.6 g/mol
- Monoisotopic mass
- 406.32119697
Names & identifiers
- Preferred name
- Phosphoric acid, diundecyl ester
- IUPAC
- diundecyl hydrogen phosphate
- English name
- Phosphoric acid hydrogen diundecyl ester
- Molecular weight
- 0
Names & synonyms
diundecyl hydrogen phosphate1-Undecanol, hydrogen phosphatePhosphoric acid, diundecyl ester7598-64-3NSC-407915Q3XT8W56JHDTXSID80226882RefChem:1095407DTXCID10149373Diundecyl phosphateUndecyl phosphate, di-NSC 407915
Show more names
Phosphoric acid hydrogen diundecyl ester
BRN 1715295WLN: 11OPQO&O11SCHEMBL2150087NSC407915
Database identifiers
- CAS
7598-64-3- PubChem CID
- 82072
- DTXSID
DTXSID80226882- UNII
- Q3XT8W56JH
- Nikkaji
- J50.403C
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 22
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- FDA UNII
- 3 XT8W56JH · Q3XT8W56JH
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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