Compound Identification
SMILES
CC1(C)O[C@H]2OC3[C@H](O)C(=O)OC3[C@H]2O1
InChIKey
InChIKey=BDBGJSXZKMTMGP-XHQFDTTGSA-N
Formula
C9H12O6
Mass
216.189
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Furofurans
- Subclass Isosorbides
-
Class
Furofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Furofurans
Subclass
Isosorbides
Intermediate Tree Nodes
Not available
Direct Parent
Isosorbides
Alternative Parents
Ketals Monosaccharides Gamma butyrolactones Oxolanes 1,3-dioxolanes Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Isosorbide - Ketal - Gamma butyrolactone - Monosaccharide - Meta-dioxolane - Oxolane - Carboxylic acid ester - Secondary alcohol - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.
External Descriptors
Not available