2-Piperidineethanol, 1-acetyl-alpha-(6-((2R,3R,4R,5R)-1-acetyl-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl)hexyl)-beta-hydroxy-, (alphaS,betaS,2R)-

Base Information

• Chemical Name: 2-Piperidineethanol, 1-acetyl-alpha-(6-((2R,3R,4R,5R)-1-acetyl-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl)hexyl)-beta-hydroxy-, (alphaS,betaS,2R)-
• CAS No.: 215117-17-2
• Molecular Formula: C22H40N2O7
• Molecular Weight: 444.5622
• DSSTox Substance ID: DTXSID10944123
• Wikidata: Q82921306
• Mol file: 215117-17-2.mol

Synonyms:broussonetine J

Chemical Property of 2-Piperidineethanol, 1-acetyl-alpha-(6-((2R,3R,4R,5R)-1-acetyl-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl)hexyl)-beta-hydroxy-, (alphaS,betaS,2R)-

Chemical Property:

• Vapor Pressure: 3.92E-23mmHg at 25°C
• Boiling Point: 707.5°Cat760mmHg
• Flash Point: 381.7°C
• Density: 1.24g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 444.28355162
• Heavy Atom Count: 31
• Complexity: 590

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCCCC1C(C(CCCCCCC2C(C(C(N2C(=O)C)CO)O)O)O)O
• Isomeric SMILES: CC(=O)N1CCCC[C@@H]1[C@@H]([C@H](CCCCCCC2[C@H]([C@@H]([C@H](N2C(=O)C)CO)O)O)O)O

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