Sodium pyrophosphate decahydrate - AR , CAS No.13472-36-1

CAS: 13472-36-1 Cat. No.: S165307 Molecular Weight: 446.06 EC Number: 603-854-8 PubChem CID: 3084150

GRADE & PURITY AR

Synonyms

Pyrophosphoric acid, tetrasodium salt, decahydrate | Tetrasodium Pyrophosphate Decahydrate | tetra-sodium pyrophosphate decahydrate | Sodium Pyrophosphate Decahydrate ACS Crystals | Sodium pyrophosphate tetrabasic decahydrate | UNII-IY3DKB96QW | tetrasodi

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Pyrophosphoric acid, tetrasodium salt, decahydrate | Tetrasodium Pyrophosphate Decahydrate | tetra-sodium pyrophosphate decahydrate | Sodium Pyrophosphate Decahydrate ACS Crystals | Sodium pyrophosphate tetrabasic decahydrate | UNII-IY3DKB96QW | tetrasodi

Specifications & Purity

AR

Storage

Room temperature

Shipped In

Normal

Grade

AR

Names and Identifiers

• Canonical Smiles: O.O.O.O.O.O.O.O.O.O.[O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
• IUPAC Name: tetrasodium;phosphonato phosphate;decahydrate
• InChIKey: VZWGHDYJGOMEKT-UHFFFAOYSA-J
• INCHI: 1S/4Na.H4O7P2.10H2O/c;;;;1-8(2,3)7-9(4,5)6;;;;;;;;;;/h;;;;(H2,1,2,3)(H2,4,5,6);10*1H2/q4*+1;;;;;;;;;;;/p-4
• Isomeric SMILES: O.O.O.O.O.O.O.O.O.O.[O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
• WGK Germany: 1
• PubChem CID: 3084150
• Molecular Weight: 446.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Alkali metal oxoanionic compounds
      • Subclass Alkali metal pyrophosphates

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Alkali metal oxoanionic compounds
• Subclass: Alkali metal pyrophosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkali metal pyrophosphates
• Alternative Parents: Inorganic sodium salts Inorganic oxides
• Molecular Framework: Not available
• Substituents: Alkali metal pyrophosphate - Inorganic sodium salt - Inorganic oxide - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as alkali 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 alkali 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

• Solubility: Soluble in water. Insoluble in alcohol and ammonia.
• Melt Point(°C): 79.5℃
• Molecular Weight: 446.060 g/mol
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 0
• Exact Mass: 445.977 Da
• Monoisotopic Mass: 445.977 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 23
• 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: 15

XLogP3

References

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