Calcium hexametaphosphate

tricalcium;2,4,6,8,10,12-hexaoxido-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide

CAS: 10102-76-8

Molecular Formula	`Ca3O18P6`
Molecular Weight	594.07 g/mol
Topological Polar Surface Area	296.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	18
Rotatable Bonds	0
Exact Mass	593.6388
Heavy Atoms	27
Complexity	513.0

Chemical Identifiers

CAS Number	10102-76-8
SMILES	`[O-]P1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-])[O-])[O-].[Ca+2].[Ca+2].[Ca+2]`
InChIKey	`KRSIWAJXDVVKLZ-UHFFFAOYSA-H`

📖 Product Overview

Calcium hexametaphosphate (CAS: 10102-76-8) is a chemical compound with molecular formula Ca3O18P6 and molecular weight 594.07 g/mol. Its IUPAC systematic name is tricalcium;2,4,6,8,10,12-hexaoxido-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide. Topological Polar Surface Area 296.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 18 Rotatable Bonds 0 Exact Mass 593.6388 Heavy Atoms 27 Complexity 513.0 InChI Key: KRSIWAJXDVVKLZ-UHFFFAOYSA-H. SMILES: [O-]P1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-])[O-])[O-].[Ca+2].[Ca+2].[Ca+2].

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