Relevant Data

Food Additives Approved in the United States


General Information

Synonyms: INSOLUBLE SODIUM METAPHOSPHATE, MADDRELL'S SALT, SODIUM POLYPHOSPHATE, INSOLUBLE
Chemical Names: SODIUM METAPHOSPHATE
CAS number: 50813-16-6
Functional Class: Food Additives
SEQUESTRANT
EMULSIFIER
THICKENER
TEXTURIZER

From apps.who.int


Evaluations

Evaluation year: 1982
Meeting: 46
Specs Code: N (1996)
Specification: COMPENDIUM ADDENDUM 8/FNP 52 Add.8/203 (METALS LIMITS) (2000).R; FAO JECFA Monographs 1 vol.3/365

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Computed Descriptors

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2D Structure
CID56846408
IUPAC Name
InChIInChI=1S/6Na.H6O18P6/c;;;;;;1-19(2)14-21(6,7)16-23(10,11)18-24(12,13)17-22(8,9)15-20(3,4)5/h;;;;;;(H,6,7)(H,8,9)(H,10,11)(H,12,13)(H2,3,4,5)/q6*+1;/p-6
InChI KeyINSNVPUOJJTBAL-UHFFFAOYSA-H
Canonical SMILES[O-]P(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Molecular FormulaNa6O18P6

From Pubchem


Computed Properties

Property Name Property Value
Molecular Weight611.763
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Complexity698.0
CACTVS Substructure Key Fingerprint A A A D c Q A A P j O A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A C A A A A A A A A A A A A A A A B A A Q A A A A I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area304.0
Monoisotopic Mass611.69
Exact Mass611.69
Compound Is CanonicalizedFalse
Formal Charge0
Heavy Atom Count30
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count7

From Pubchem


Taxonomic Classification

KingdomInorganic compounds
SuperclassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
SubclassAlkali metal phosphates
Intermediate Tree NodesNot available
Direct ParentAlkali metal phosphates
Alternative Parents
Molecular FrameworkNot available
SubstituentsAlkali metal phosphate - Inorganic sodium salt - Inorganic oxide - Inorganic salt
DescriptionThis compound belongs to the class of inorganic compounds known as alkali 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 alkali metal.

From ClassyFire