[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[F-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
CAS: 1306-05-4
Name: pentacalcium;fluoride;triphosphate
SMILES: [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[F-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]

Molecular Processing

Molecular formula
Ca5FO12P3
Molecular weight
504.3
Exact mass
503.6716
XLogP
-13.37
TPSA
258.75
H-bond donors
0
H-bond acceptors
12
Rotatable bonds
0
Heavy atoms
21
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
21
Covalent units
9
Fraction Csp3
0
Molar refractivity
51.59

Supplementary Information

InChIKey: VSIIXMUUUJUKCM-UHFFFAOYSA-D
Synonyme
Fluorapatite1306-05-4Phosphate rockFluorapatite (Ca5F(PO4)3)M4CM1H238JDTXSID2051429FLUOROAPATITERefChem:599367DTXCID0030031CHEBI:52257215-144-1Apatitepentacalcium;fluoride;triphosphateUNII-M4CM1H238JEINECS 215-144-1Ca5FO12P3phospate rockAPATITE [HPUS]Fluorapatite (synthetic)Fluorapatite Sputtering TargetSCHEMBL23270382Calcium fluoride phosphate (5/1/3)Q26841220
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