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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:33:18 UTC
Update Date2022-03-07 02:52:20 UTC
HMDB IDHMDB0029893
Secondary Accession Numbers
  • HMDB29893
Metabolite Identification
Common NameSucrose octaacetate
DescriptionSucrose octaacetate belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Sucrose octaacetate is a bitter and odorless tasting compound. Based on a literature review a significant number of articles have been published on Sucrose octaacetate.
Structure
Data?1563861907
Synonyms
ValueSource
Sucrose octaacetic acidGenerator
Sucrose octa acetateMeSH
Sucrose octaacetate, ((alpha-D)-fructofuranosyl)-isomerMeSH
D-(+)-Sucrose octaacetateHMDB
FEMA 3038HMDB
Octaacetyl sucroseHMDB
OctaacetylsucroseHMDB
Saccharose octaacetateHMDB
SOAHMDB
Sucrose, octaacetateHMDB
[3,4-Bis(acetyloxy)-5-[(acetyloxy)methyl]-5-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl acetic acidGenerator
Sucrose octaacetateMeSH
Chemical FormulaC28H38O19
Average Molecular Weight678.5899
Monoisotopic Molecular Weight678.200729034
IUPAC Name[3,4-bis(acetyloxy)-5-[(acetyloxy)methyl]-2-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl acetate
Traditional Namesucrose octaacetate
CAS Registry Number126-14-7
SMILES
CC(=O)OCC1OC(COC(C)=O)(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChI Identifier
InChI=1S/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3
InChI KeyZIJKGAXBCRWEOL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glycosyl compounds
Alternative Parents
Substituents
  • O-glycosyl compound
  • Disaccharide
  • C-glycosyl compound
  • Ketal
  • Oxane
  • Tetrahydrofuran
  • Carboxylic acid ester
  • Oxacycle
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Acetal
  • Organic oxide
  • Hydrocarbon derivative
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point84 °CNot Available
Boiling Point260.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility0.91 mg/mLNot Available
LogP1.440 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB001132
KNApSAcK IDNot Available
Chemspider ID190652
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSucrose octaacetate
METLIN IDNot Available
PubChem Compound219904
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1034761
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .