AromaDb: A Database of Plant's Aroma Molecules

Fructosterol Details

: IUPAC Name
(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
:Chemical Class
:CAS Registry Number
7660-25-5
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID24310
Molecular Weight (mg/mol)180.156
Molecular FormulaC6H12O6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
Canonical SMILESOCC1(O)OCC(O)C(O)C1O
PUBCHEM IUPAC INCHIKEYLKDRXBCSQODPBY-ARQDHWQXSA-N
Solubility Level5
Vapour Pressure-9.811

Absorption and Metabolism information

XLOGP3 AA-2.8
CACTVS TPSA110
BBB Level4
Absorption Level3
EXT PPB#Prediction0
AlogP98-2.564
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDANon-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD505.3434 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 7660-25-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 7660-25-5 Fructosterol

Compound Image


2D Structure

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