Basic information
- CAS
23079-25-6- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O- InChIKey
LNTZHXQMPUKVNX-UHFFFAOYSA-N- Molecular formula
- C22H47O4P
- Average molar mass
- 406.6 g/mol
- Monoisotopic mass
- 406.32119697
Names & identifiers
- Preferred name
- Behenyl phosphate
- IUPAC
- docosyl dihydrogen phosphate
- English name
- Phosphoric acid dihydrogen docosyl ester
- Molecular formula
- C22H47O4P
- Molecular weight
- 406.59
Names & synonyms
behenyl phosphateDocosyl phosphate23079-25-61-Docosanol, 1-(dihydrogen phosphate)366D9UAY69MONOBEHENYL PHOSPHATEDIHYDROGEN MONODOCOSYL PHOSPHATERefChem:5612101-Docosanol, dihydrogen phosphatedocosyl dihydrogen phosphateUNII-366D9UAY69SCHEMBL1191894
Show more names
Phosphoric acid dihydrogen docosyl ester
DTXSID7066855LNTZHXQMPUKVNX-UHFFFAOYSA-NQ27256535
Database identifiers
- CAS
23079-25-6- PubChem CID
- 89994
- DTXSID
DTXSID7066855- UNII
- 366D9UAY69
- Nikkaji
- J422.110I
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 22
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- FDA UNII
- 366 D9UAY69 · 366D9UAY69
- EPA Substance Registry System
- 1 · 1-Docosanol, dihydrogen phosphate (23079-25-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Docosanol, 1-(dihydrogen phosphate): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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