Calcium pyrophosphate - ≥99.9% metals basis , CAS No.7790-76-3

CAS: 7790-76-3 Cat. No.: C128782 Peso molecular: 254.10 Número EC: 232-221-5

GRADE & PURITY ≥99.9% metals basis

Synonyms

HSDB 1435 | CALCIUMPYROPHOSPHATE | CALCIUM PYROPHOSPHATE [MI] | MFCD00015983 | Calcium pyrophosphate (99.95%-Ca) | CALCIUM PYROPHOSPHATE [INCI] | Diphosphoric acid, calcium salt | Calcium pyrophosphate (Ca2P2O7) | Ca2P2O7 | 1264298-55-6 | calcium phosphon

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

HSDB 1435 | CALCIUMPYROPHOSPHATE | CALCIUM PYROPHOSPHATE [MI] | MFCD00015983 | Calcium pyrophosphate (99.95%-Ca) | CALCIUM PYROPHOSPHATE [INCI] | Diphosphoric acid, calcium salt | Calcium pyrophosphate (Ca2P2O7) | Ca2P2O7 | 1264298-55-6 | calcium phosphon

Especificaciones y pureza

≥99.9% metals basis

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99.9% metals basis

Nombres e identificadores

• Sonrisas canónicas: [O-]P(=O)([O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2]
• IUPAC Name: dicalcium;phosphonato phosphate
• InChIKey: JUNWLZAGQLJVLR-UHFFFAOYSA-J
• INCHI: 1S/2Ca.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4
• Isómeros SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2]
• WGK Alemania: 3
• Peso molecular: 254.10
• Reaxy-Rn: 11329568
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11329568&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Clase Alkaline earth metal oxoanionic compounds
      • Subclass Alkaline earth metal pyrophosphates

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

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

Propiedades químicas y físicas

• Punto de fusión (°C): 1353°C
• Peso molecular: 254.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 253.837 Da
• Monoisotopic Mass: 253.837 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 124.000
• 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: 3

XLogP3

Referencias

1. Yu Li, Wei Jiang, Nanfang Nie, Jiaqi Xu, Xiaozhao Wang, Junwen Zhang, Jiahuan Guan, Chengcheng Zhu, Cheng Zhang, Ying Gu, Xiaoyi Chen, Shasha Yao, Zi Yin, Bingbing Wu, Hongwei Ouyang, Xiaohui Zou.  (2023)  Size- and Dose-Dependent Body-Wide Organ Transcriptomic Responses to Calcium Phosphate Nanomaterials.  ACS Applied Materials & Interfaces,      [PMID:38018117] [10.1021/acsami.3c10301]

2. Xiaoxiong Jin, Wanying Wang, Hui Liu, Jing Zhao, Pengfei Li, Aoting Li, Ziyuan Song.  (2025)  Enhanced Bone Targeting of Poly(l-glutamic acid)s through Cationic or Aromatic Substitution.  BIOMACROMOLECULES,      [PMID:39977118] [10.1021/acs.biomac.4c01714]