Isomigrastatin

Base Information

• Chemical Name: Isomigrastatin
• CAS No.: 415952-70-4
• Molecular Formula: C₂₇H₃₉NO₇
• Molecular Weight: 489.609
• ChEMBL ID: CHEMBL1221912
• DSSTox Substance ID: DTXSID30904042
• Metabolomics Workbench ID: 105695,116548
• Wikidata: Q14035814
• Wikipedia: Isomigrastatin
• Mol file: 415952-70-4.mol

Synonyms:iso-migrastatin;isomigrastatin

Chemical Property of Isomigrastatin

Chemical Property:

• PSA: 122.49000
• LogP: 3.46690
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 489.27265258
• Heavy Atom Count: 35
• Complexity: 844

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C=CCCC=CC(=O)OC1C(=CC(C)C(=O)CCCC2CC(=O)NC(=O)C2)C)OC)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H](/C=C/CC/C=C/C(=O)O[C@H]1/C(=C/[C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)/C)OC)O

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