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

CAS: 7790-76-3 Cat. No.: C128782 Molecular Weight: 254.10 EC Number: 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

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

Specifications & Purity

≥99.9% metals basis

Storage

Room temperature

Shipped In

Normal

Purity

≥99.9% metals basis

Names and Identifiers

• Canonical Smiles: [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
• Isomeric SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2]
• WGK Germany: 3
• Molecular Weight: 254.10
• Reaxy-Rn: 11329568
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11329568&ln=

Chemical and Physical Properties

• Melt Point(°C): 1353°C
• Molecular Weight: 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

References

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]