Acetylintermedine

Base Information

• Chemical Name: Acetylintermedine
• CAS No.: 74243-01-9
• Molecular Formula: C17H27 N O6
• Molecular Weight: 341.4
• DSSTox Substance ID: DTXSID201019870
• Nikkaji Number: J228.013B
• Wikidata: Q27149735
• Mol file: 74243-01-9.mol

Synonyms:Acetylintermedine;7-Acetylintermedine;74243-01-9;[(7R,8R)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate;Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (1-(acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (1R-(1alpha,7(2S*,3R*),7abeta))-;CHEBI:80702;DTXSID201019870;7-O-Acetylintermedine , HPLC Grade;C17-H27-N-O6;MFCD31631254;AKOS040758324;HY-127011;CS-0091352;Q27149735;((1R,7aR)-1-acetoxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl (2S,3R)-2,3-dihydroxy-2-isopropylbutanoate;Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, ((1R,7aR)-1-(acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (2S,3R)-

Chemical Property of Acetylintermedine

Chemical Property:

• Vapor Pressure: 1.21E-10mmHg at 25°C
• Boiling Point: 466°C at 760 mmHg
• Flash Point: 235.6°C
• PSA: 96.30000
• Density: 1.24g/cm³
• LogP: 0.18140
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 341.18383758
• Heavy Atom Count: 24
• Complexity: 531

Purity/Quality:

98% ^*data from raw suppliers

7-Acetylintermedine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)OC(=O)C)O
• Isomeric SMILES: C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)O)O