O=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Fe+2].[Mg+2]

CAS: 14358-97-5

Name: whitlockite

IUPAC: nonacalcium;magnesium;hydrogen phosphate;iron(2+);hexaphosphate

SMILES:

O=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Fe+2].[Mg+2]

Canonical SMILES:

OP(=O)([O-])[O-].OP(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Mg+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Fe+2]

Summenformel: Ca9FeH2MgO32P8

Molare Masse: 1202.60

InChIKey: CVPJXKJISAFJDU-UHFFFAOYSA-A

InChI: InChI=1S/9Ca.Fe.Mg.8H3O4P/c;;;;;;;;;;;8*1-5(2,3)4/h;;;;;;;;;;;8*(H3,1,2,3,4)/q11*+2;;;;;;;;/p-22

PubChem CID: 56841624 →

Synonyme

Whitlockitebeta-WhitlockiteMagnesiumwhitlockiteCalcium-magnesium whitlockiteWhitlockite (Ca3(PO4)2)14358-97-5DTXSID40162474BobdownsiteRefChem:194838DTXCID2084965SCHEMBL23270358CVPJXKJISAFJDU-UHFFFAOYSA-ACalcium iron(2+) magnesium hydrogen phosphate phosphate (9/1/1/2/6)

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