Calcium alginate

Relevant Data

Food Additives Approved in the United States

Food Additives Approved by WHO:

General Information

Chemical nameCalcium alginate
E No.E 404
INS.404
CAS number9005-35-0
GroupNo
Component of the group Group I, Additives (Group I)
Alginic acid - alginates (E 400 - 404)

From webgate.ec.europa.eu

Authorisation of the use of this additive in Food Additives

The additive is authorised to be used in the following category(ies):
category(ies) Individual restriction(s)/exception(s) footnote
  • Meat preparations as defined by Regulation (EC) No 853/2004 (8.2)(legislation:601/2014, applicable as from 25/06/2014)
  • quantum satis , only preparations in which ingredients have been injected; meat preparations composed of meat parts that have been handled differently: minced, sliced or processed and that are combined together. Except bifteki, soutzoukaki, kebap gyros and souvlaki
  • Processed cereal-based foods and baby foods for infants and young children as defined by Directive 2006/125/EC (13.1.3)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 500 mg/kg , only desserts and puddings
  • 23 E 400, E 401, E 402 and E 404 are authorised individually or in combination

From webgate.ec.europa.eu

Computed Descriptors

Download SDF
2D Structure
CID44630049
IUPAC Namecalcium;(2S,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxylato-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
InChIInChI=1S/C18H26O19.Ca/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29;/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31);/q;+2/p-2/t1-,2-,3+,4+,5-,6-,7-,8-,9-,10-,11+,12+,16+,17+,18+;/m0./s1
InChI KeyOKHHGHGGPDJQHR-YMOPUZKJSA-L
Canonical SMILESC1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)O)OC3C(C(C(OC3C(=O)[O-])O)O)O)O)O)C(=O)[O-])O)O.[Ca+2]
Molecular Formula(C6H7Ca1/2O6)n
WikipediaCalcium alginate

From Pubchem

Computed Properties

Property Name Property Value
Molecular Weight584.449
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count19
Rotatable Bond Count5
Complexity842.0
CACTVS Substructure Key Fingerprint A A A D c e B 4 P g A A A A g A A A A A A A A A A A A A A A A A A A A k S J A A A A A A A A A A A A A A G g A A C A A A C B S w g A M A C A A A B g A I A A C Q C A I A A A A A A A A A A A F A A A A R E B Y A A A Q i Q A A F I A A H A A H K b A x 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 Area326.0
Monoisotopic Mass584.054
Exact Mass584.054
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count38
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

From Pubchem

Taxonomic Classification

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbohydrates and carbohydrate conjugates
Intermediate Tree NodesNot available
Direct ParentOligosaccharides
Alternative Parents
Molecular FrameworkAliphatic heteromonocyclic compounds
SubstituentsOligosaccharide - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Hydroxy acid - Pyran - Oxane - Carboxylic acid salt - Hemiacetal - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Acetal - Carboxylic acid derivative - Organic calcium salt - Polyol - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic salt - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

From ClassyFire