Octacalcium phosphate - Bio-medical grade, ≥98%, ＜70μm , CAS No.13767-12-9

CAS: 13767-12-9 Cat. No.: O139926 Molecular Weight: 892.24(as Anhydrous) PubChem CID: 123896

GRADE & PURITY Bio-medical grade, ≥98%, ＜70μm

Synonyms

octacalcium phosphate|13767-12-9|Phosphoric acid, calcium salt (3:4)|tetracalcium;hydrogen phosphate;diphosphate|Octacalcium dihydrogen phosphate|DTXSID50160264|Q7076684

Shipped In

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Specifications

Synonyms

octacalcium phosphate | 13767-12-9 | Phosphoric acid, calcium salt (3:4) | tetracalcium;hydrogen phosphate;diphosphate | Octacalcium dihydrogen phosphate | DTXSID50160264 | Q7076684

Specifications & Purity

Bio-medical grade, ≥98%, ＜70μm

Shipped In

Normal

Grade

Bio-medical grade

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187779
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187779
• Canonical Smiles: OP(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
• IUPAC Name: tetracalcium;hydrogen phosphate;diphosphate
• InChIKey: YIGWVOWKHUSYER-UHFFFAOYSA-F
• INCHI: 1S/4Ca.3H3O4P/c;;;;3*1-5(2,3)4/h;;;;3*(H3,1,2,3,4)/q4*+2;;;/p-8
• Isomeric SMILES: OP(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
• PubChem CID: 123896
• Molecular Weight: 892.24(as Anhydrous)

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Alkaline earth metal oxoanionic compounds
      • Subclass Alkaline earth metal phosphates

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Alkaline earth metal oxoanionic compounds
• Subclass: Alkaline earth metal phosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkaline earth metal phosphates
• Alternative Parents: Inorganic oxides Inorganic calcium salts
• Molecular Framework: Not available
• Substituents: Alkaline earth metal phosphate - Inorganic calcium salt - Inorganic oxide - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as alkaline earth metal phosphates. These are inorganic compounds in which the largest oxoanion is phosphate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 446.230 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 0
• Exact Mass: 445.718 Da
• Monoisotopic Mass: 445.718 Da
• Topological Polar Surface Area: 256.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 83.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 7

XLogP3

References

1. Kyeong-Tae Kim, Sidra Sadaf Nisar, Han-Cheol Choe.  (2024)  Mechanical octacalcium phosphate coatings on the plasma electrolytic oxidized pure titanium for bio-implant use.  SURFACE & COATINGS TECHNOLOGY,      [PMID:] [10.1016/j.surfcoat.2024.130602]

2. Mingdong Yan, Yanjing Ou, Ruimin Liu, Changfu Xie, Jiang Chen.  (2026)  Chitin nanowhiskers/octacalcium phosphate synergistically reinforced chitosan hydrogel for enhanced bone regeneration.  Journal of Biological Engineering,      [PMID:41851790] [10.1186/s13036-026-00647-8]