Compound Identification
SMILES
CCO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.N\C(NC1=CC=C(Cl)C=C1)=N\C(N)=NCCCCCCN=C(N)\N=C(/N)NC1=CC=C(Cl)C=C1
InChIKey
InChIKey=AFGGOZMROWBCEZ-MUANXTJRSA-N
Formula
C36H60Cl2N10O15
Mass
943.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
- Level 5 Sugar acids and derivatives
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
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
Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Biguanides Chlorobenzenes Hydroxy fatty acids Alpha hydroxy acids and derivatives Aryl chlorides Monosaccharides Secondary alcohols 1,2-diols Carboxylic acids Carboximidamides Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Imines Organochlorides Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
Gluconic_acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Halobenzene - Chlorobenzene - Biguanide - Beta-hydroxy acid - Alpha-hydroxy acid - Monosaccharide - Hydroxy acid - Benzenoid - Monocyclic benzene moiety - Aryl halide - Fatty acid - Fatty acyl - Aryl chloride - 1,2-diol - Guanidine - Secondary alcohol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Carboxylic acid - Polyol - Monocarboxylic acid or derivatives - Carbonyl group - Primary alcohol - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Imine - Aromatic homomonocyclic 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.
External Descriptors
Not available