Antirrhinoside

Base Information

• Chemical Name: Antirrhinoside
• CAS No.: 20770-65-4
• Molecular Formula: C₁₅H₂₂O₁₀
• Molecular Weight: 362.334
• DSSTox Substance ID: DTXSID40331825
• Nikkaji Number: J16.280I
• Wikidata: Q27105811
• Metabolomics Workbench ID: 69305
• ChEMBL ID: CHEMBL364464
• Mol file: 20770-65-4.mol

Synonyms:Antirrhinoside;20770-65-4;CHEBI:2765;CHEMBL364464;C09768;(2S,3R,4S,5S,6R)-2-[[(1S,2R,4S,5R,6S,10S)-5,6-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol;AC1L9CS5;DTXSID40331825;Q27105811;(2S,3R,4S,5S,6R)-2-[[(1aR,1bS,2S,5aS,6R,6aS)-5a,6-dihydroxy-1a-methyl-1b,2,6,6a-tetrahydrooxireno[1,2]cyclopenta[4,5-b]pyran-2-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

Chemical Property of Antirrhinoside

Chemical Property:

• Vapor Pressure: 1.5E-19mmHg at 25°C
• Boiling Point: 648.3°C at 760 mmHg
• Flash Point: 345.9°C
• PSA: 161.60000
• Density: 1.72g/cm³
• LogP: -3.44780
• XLogP3: -3.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 362.12129689
• Heavy Atom Count: 25
• Complexity: 571

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12C3C(OC=CC3(C(C1O2)O)O)OC4C(C(C(C(O4)CO)O)O)O
• Isomeric SMILES: C[C@@]12[C@H]3[C@@H](OC=C[C@]3([C@@H]([C@@H]1O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

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