Fabiatrin

Base Information

• Chemical Name: Fabiatrin
• CAS No.: 18309-73-4
• Molecular Formula: C21H26O13
• Molecular Weight: 486.43
• DSSTox Substance ID: DTXSID501016106
• Nikkaji Number: J13.814B
• Wikidata: Q104912159

Synonyms:Fabiatrin;18309-73-4;6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one;DTXSID501016106;HY-N2285;AKOS040760397;FS-7126;CS-0019613;2H-1-Benzopyran-2-one, 6-methoxy-7-[(6-O-.beta.-D-xylopyranosyl-.beta.-D-glucopyranosyl)oxy]-

Chemical Property of Fabiatrin

Chemical Property:

• Melting Point: 243-245 °C
• Boiling Point: 801.8±65.0 °C(Predicted)
• PKA: 12.69±0.70(Predicted)
• PSA: 197.74000
• Density: 1.65±0.1 g/cm3(Predicted)
• LogP: -2.55640
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 486.13734088
• Heavy Atom Count: 34
• Complexity: 734

Purity/Quality:

≥98% ^*data from raw suppliers

Fabiatrin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O
• Isomeric SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O

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