AMMONIUM GLUCONATE

General Information

Mainterm	AMMONIUM GLUCONATE
Doc Type	NUL
CAS Reg.No.(or other ID)	2554-04-3
Regnum

From www.fda.gov

Computed Descriptors

2D Structure
CID	56841640
IUPAC Name	azanium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
InChI	InChI=1S/C6H12O7.H3N/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);1H3/t2-,3-,4+,5-;/m1./s1
InChI Key	XLCNHLXQKYRGKZ-JJKGCWMISA-N
Canonical SMILES	C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[NH4+]
Molecular Formula	C6H15NO7
Wikipedia	ammonium gluconate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	213.186
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Complexity	165.0
CACTVS Substructure Key Fingerprint	A A A D c c B i 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 G g A Q C A A A C B S g g A I A C A A A A 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 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	142.0
Monoisotopic Mass	213.085
Exact Mass	213.085
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	14
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Sugar acids and derivatives
Alternative Parents	Beta hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Organic oxides Monocarboxylic acids and derivatives Carbonyl compounds Hydroxy fatty acids Primary alcohols Hydrocarbon derivatives Amino fatty acids Organic nitrogen compounds Monosaccharides Polyols Medium-chain fatty acids Carboxylic acids Secondary alcohols Alpha hydroxy acids and derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Gluconic_acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Amino fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Alpha-hydroxy acid - Fatty acyl - Fatty acid - Hydroxy acid - Monosaccharide - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Polyol - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Hydrocarbon derivative - Primary alcohol - Organic nitrogen compound - Organic oxide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.

From ClassyFire