ALGINATE, SODIUM

Relevant Data

Food Additives Approved by WHO:

SODIUM ALGINATE [show]

Food Additives Approved by European Union:

Sodium alginate [show]

General Information

Mainterm	ALGINATE, SODIUM
Doc Type	ASP
CAS Reg.No.(or other ID)	9005-38-3
Regnum	173.310 150.141 150.161 133.178 133.179 184.1724

From www.fda.gov

Computed Descriptors

2D Structure
CID	6537642
IUPAC Name	disodium;(6Z)-6-[(2,4-dimethyl-6-sulfonatophenyl)hydrazinylidene]-5-oxonaphthalene-1-sulfonate
InChI	InChI=1S/C18H16N2O7S2.2Na/c1-10-8-11(2)17(16(9-10)29(25,26)27)20-19-14-7-6-12-13(18(14)21)4-3-5-15(12)28(22,23)24;;/h3-9,20H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b19-14-;;
InChI Key	AQJHOKDCKYSJAS-MHZTUVSFSA-L
Canonical SMILES	CC1=CC(=C(C(=C1)S(=O)(=O)[O-])NN=C2C=CC3=C(C2=O)C=CC=C3S(=O)(=O)[O-])C.[Na+].[Na+]
Molecular Formula	C18H14N2Na2O7S2
Wikipedia	Scarlet GN

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	480.417
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Complexity	888.0
CACTVS Substructure Key Fingerprint	A A A D c c B 7 O D B g A A A A A A A A A A A A A A A A A A A A A A A w Y I A A A A A A A A C B Q A A A H g Q Y A A A A D A y B 2 A A y w Y B i A A K o A 6 R y Q H D S B E A k A A A Y i B 0 w R N g I I D K A l Z G A I Q B g i A A I y Y c Y i M C O i A A C g A A W A Q A Q A A U A A C w C A A A A A A A A A A = =
Topological Polar Surface Area	173.0
Monoisotopic Mass	480.004
Exact Mass	480.004
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	31
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenes
Alternative Parents	Sulfonyls Organic cations Hydrocarbon derivatives Aryl ketones m-Xylenes Organic oxides Hydrazones 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Organosulfonic acids Organic sodium salts Phenylhydrazines
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Benzenesulfonate - Naphthalene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Xylene - Phenylhydrazine - Aryl ketone - M-xylene - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid - Organosulfonic acid or derivatives - Sulfonyl - Ketone - Organic alkali metal salt - Hydrazone - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

From ClassyFire