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]
CAS: 14358-97-5
Name: nonacalcium;magnesium;hydrogen phosphate;iron(2+);hexaphosphate
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]

Molecular Processing

Molecular formula
H2Ca9FeMgO32P8
Molecular weight
1202.63
Exact mass
1201.2263
XLogP
-25.14
TPSA
684.34
H-bond donors
2
H-bond acceptors
30
Rotatable bonds
0
Heavy atoms
51
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
51
Covalent units
19
Fraction Csp3
0
Molar refractivity
122.83

Supplementary Information

InChIKey: CVPJXKJISAFJDU-UHFFFAOYSA-A
Synonyms
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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Involved in 9 reactions→

Extended Search

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