Basic information
- CAS
71889-09-3- Standard SMILES
CCCCCCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCCCCCC- InChIKey
LRJTXCIKKAOROY-UHFFFAOYSA-N- Molecular formula
- C34H70O3P+
- Average molar mass
- 557.9 g/mol
- Monoisotopic mass
- 557.50625809
Names & identifiers
- Preferred name
- Phosphonic acid, diheptadecyl ester
- IUPAC
- di(heptadecoxy)-oxophosphanium
- English name
- Phosphonic acid diheptadecyl ester
- Molecular formula
- C34H71O3P
- Molecular weight
- 558.9
Names & synonyms
Diheptadecyl phosphitePhosphonic acid, diheptadecyl ester71889-09-3DTXSID20888029RefChem:862110DTXCID301027311diheptadecyl phosphonateSCHEMBL11373981ORFRTSRVIBPNSM-UHFFFAOYSA-NPhosphonic acid diheptadecyl ester
Database identifiers
- CAS
71889-09-3- PubChem CID
- 6367255
- DTXSID
DTXSID20888029- Nikkaji
- J446.998D
Properties
Computed structural properties
- XLogP
- 16.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 34
- Heavy atoms
- 38
- Formal charge
- 1
- Complexity
- 405
Physicochemical properties
- Boiling point
- 607.3 · 607.3±24.0 °C(Predicted)
- EPA Substance Registry System
- Diheptadecyl phosphite (71889-09-3)
- 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 InformationPhosphonic acid, diheptadecyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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