Basic information
- CAS
10102-76-8- Standard SMILES
O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.[Ca+2].[Ca+2].[Ca+2]- InChIKey
KRSIWAJXDVVKLZ-UHFFFAOYSA-H- Molecular formula
- Ca3O18P6
- Average molar mass
- 594.07 g/mol
- Monoisotopic mass
- 593.6388077
Names & identifiers
- Preferred name
- metaphosphoric acid, (h6p6o18), calcium salt
- IUPAC
- tricalcium;2,4,6,8,10,12-hexaoxido-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide
Names & synonyms
Calcium hexametaphosphate10102-76-8Metaphosphoric acid (H6P6O18), calcium saltMetaphosphoric acid, (H6P6O18), calcium saltDTXSID90143677RefChem:811233DTXCID5066168PGU6YV5X22SCHEMBL377918NS00131885Metaphosphoric acid (H6P6O18), calcium salt (1:3)32280-49-2
Show more names
Tricalcium 2,4,6,8,10,12-hexaoxo-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexakis(olate)
Database identifiers
- CAS
10102-76-8、32280-49-2- PubChem CID
- 61479
- DTXSID
DTXSID90143677- UNII
- PGU6YV5X22
Properties
Computed structural properties
- Topological polar surface area
- 296 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 513
Experimental & physicochemical properties
Food AdditivesSEQUESTRANT -> FDA Substance added to food
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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