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Trisodium hydrogen diphosphate - ≥96%, high purity , CAS No.14691-80-6
Basic Description
Synonyms
Trisodium diphosphate | 14691-80-6 | Diphosphoric acid, trisodium salt | AR7OGW33N1 | trisodium;[hydroxy(oxido)phosphoryl] phosphate | trisodium;hydron;phosphonato phosphate | DIPHOSPHORIC ACID TRISODIUM SALT | UNII-AR7OGW33N1 | EINECS 238-735-6 | Diphosphoric acid, sodium
Specifications & Purity
≥96%
Shipped In
Normal
Taxonomic Classification
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.
Names and Identifiers
Pubchem Sid
504757501
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504757501
IUPAC Name
trisodium;[hydroxy(oxido)phosphoryl] phosphate
INCHI
InChI=1S/3Na.H4O7P2/c;;;1-8(2,3)7-9(4,5)6/h;;;(H2,1,2,3)(H2,4,5,6)/q3*+1;/p-3
InChIKey
MLIKYFGFHUYZAL-UHFFFAOYSA-K
Smiles
OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+]
Isomeric SMILES
OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+]
PubChem CID
161081
Molecular Weight
243.90(Anhydrous)
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
243.920 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
1
Exact Mass
243.889 Da
Monoisotopic Mass
243.889 Da
Topological Polar Surface Area
133.000 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
154.000
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
4
Citations of This Product
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1 Citations
L1725041