SODIUM CASEINATE

Relevant Data

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SODIUM CASEINATE [show]

General Information

Mainterm	SODIUM CASEINATE
Doc Type	ASP
CAS Reg.No.(or other ID)	9005-46-3
Regnum	135.110 135.140 182.1748

From www.fda.gov

Computed Descriptors

2D Structure
CID	23706213
IUPAC Name	sodium;2,3,4,5,6-pentahydroxyhexanal;acetate
InChI	InChI=1S/C6H12O6.C2H4O2.Na/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4;/h1,3-6,8-12H,2H2;1H3,(H,3,4);/q;;+1/p-1
InChI Key	QMGYPNKICQJHLN-UHFFFAOYSA-M
Canonical SMILES	CC(=O)[O-].C(C(C(C(C(C=O)O)O)O)O)O.[Na+]
Molecular Formula	C8H15NaO8

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	262.19
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Complexity	173.0
CACTVS Substructure Key Fingerprint	A A A D c c B w P C 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 G g A A C A A A C B S g g A I C C A A A A g A I A A i Q i A I A A A A A A A A A A A F A A A A B E B Y A A A A A Q A A F I A A B A A H K b A R 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 Area	158.0
Monoisotopic Mass	262.066
Exact Mass	262.066
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	17
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes	Monosaccharides
Direct Parent	Hexoses
Alternative Parents	Acetate salts Monocarboxylic acids and derivatives Primary alcohols Hydrocarbon derivatives Organic zwitterions Secondary alcohols Organic oxides Medium-chain aldehydes Alpha-hydroxyaldehydes Polyols Organic sodium salts Carboxylic acids Beta-hydroxy aldehydes
Molecular Framework	Not available
Substituents	Hexose monosaccharide - Medium-chain aldehyde - Beta-hydroxy aldehyde - Acetate salt - Alpha-hydroxyaldehyde - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Polyol - Organic sodium salt - Aldehyde - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Primary alcohol - Organic salt - Organic zwitterion - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.

From ClassyFire