1-Octadecanol, 9,10-dibromo-, 1,1'-(hydrogen phosphate), calcium salt (2:1)
Basic information
- CAS
68298-30-6- Standard SMILES
CCCCCCCCC(Br)C(Br)CCCCCCCCOP(=O)([O-])OCCCCCCCCC(Br)C(Br)CCCCCCCC.CCCCCCCCC(Br)C(Br)CCCCCCCCOP(=O)([O-])OCCCCCCCCC(Br)C(Br)CCCCCCCC.[Ca+2]- InChIKey
MMIXQENPPAELDP-UHFFFAOYSA-L- Molecular formula
- C72H140Br8CaO8P2
- Average molar mass
- 1,875.1 g/mol
- Monoisotopic mass
- 1,866.31164
Names & identifiers
- Preferred name
- 1-Octadecanol, 9,10-dibromo-, 1,1'-(hydrogen phosphate), calcium salt (2:1)
- IUPAC
- calcium bis(bis(9,10-dibromooctadecyl) phosphate)
Names & synonyms
68298-30-6Calcium bis(bis-dibromooleylphosphate)EINECS 269-554-01-Octadecanol, 9,10-dibromo-, hydrogen phosphate, calcium salt1-Octadecanol, 9,10-dibromo-, 1,1'-(hydrogen phosphate), calcium salt (2:1)RefChem:76751Calcium tetrakis(9,10-dibromooctadecyl) bis(phosphate)MMIXQENPPAELDP-UHFFFAOYSA-LDTXSID601340568
Database identifiers
- CAS
68298-30-6- PubChem CID
- 109271
- DTXSID
DTXSID601340568- EC Number
- 269-554-0
- Nikkaji
- J342.540A
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 72
- Heavy atoms
- 91
- Formal charge
- 0
- Complexity
- 602
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Octadecanol, 9,10-dibromo-, 1,1'-(hydrogen phosphate), calcium salt (2:1): INACTIVE
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Compound notes
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