Furcatin

Base Information

• Chemical Name: Furcatin
• CAS No.: 499-33-2
• Molecular Formula: C20H28O10
• Molecular Weight: 428.4303
• DSSTox Substance ID: DTXSID30964469
• Nikkaji Number: J412.502I
• Wikidata: Q27106687
• Metabolomics Workbench ID: 69453
• ChEMBL ID: CHEMBL2152487
• Mol file: 499-33-2.mol

Synonyms:Furcatin;499-33-2;CHEBI:5196;(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(4-prop-2-enylphenoxy)oxane-3,4,5-triol;CHEMBL2152487;C10458;AC1L9DEW;p-allylphenyl 6-O-beta-D-apiofuranosyl-beta-D-glucopyranoside;SCHEMBL14075607;DTXSID30964469;Q27106687;beta-D-apiofuranosyl-(1->6)-D-glucopyranosyl-4-(prop-2-en-1-yl)phenyl;4-(Prop-2-en-1-yl)phenyl 6-O-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]hexopyranoside;(2S,3R,4S,5S,6R)-2-(4-allylphenoxy)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol;4-(prop-2-en-1-yl)phenyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-beta-D-glucopyranoside

Chemical Property of Furcatin

Chemical Property:

• Vapor Pressure: 2.63E-20mmHg at 25°C
• Boiling Point: 695.5°Cat760mmHg
• PKA: 12.77±0.60(Predicted)
• Flash Point: 374.4°C
• PSA: 158.30000
• Density: 1.47g/cm³
• LogP: -1.94130
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 428.16824709
• Heavy Atom Count: 30
• Complexity: 554

Purity/Quality:

97% ^*data from raw suppliers

Furcatin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC1=CC=C(C=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O
• Isomeric SMILES: C=CCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@](CO3)(CO)O)O)O)O)O
• Uses: Substrate of Furcatin Hydrolase (FH). This enzyme catalyzes the hydrolysis of Furcatin producing p-Allylphenol and the disaccharide Acuminose.