Porritoxinol

Base Information

• Chemical Name: Porritoxinol
• CAS No.: 156281-15-1
• Molecular Formula: C15H20 O6
• DSSTox Substance ID: DTXSID901317827
• Metabolomics Workbench ID: 102928
• Wikidata: Q77570812
• Mol file: 156281-15-1.mol

Synonyms:Porritoxinol;156281-15-1;1(3H)-Isobenzofuranone, 6-[(2S)-2,3-dihydroxy-3-methylbutoxy]-4-methoxy-5-methyl-;CHEBI:222007;DTXSID901317827;6-[(2S)-2,3-dihydroxy-3-methylbutoxy]-4-methoxy-5-methyl-3H-2-benzouran-1-one

Chemical Property of Porritoxinol

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 296.12598835
• Heavy Atom Count: 21
• Complexity: 382

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C2C(=C1OC)COC2=O)OCC(C(C)(C)O)O
• Isomeric SMILES: CC1=C(C=C2C(=C1OC)COC2=O)OC[C@@H](C(C)(C)O)O