N-((1S,2R)-1,3-Dihydroxy-1-(2-tridecylcycloprop-1-en-1-yl)propan-2-yl)octanamide

Base Information

• Chemical Name: N-((1S,2R)-1,3-Dihydroxy-1-(2-tridecylcycloprop-1-en-1-yl)propan-2-yl)octanamide
• CAS No.: 649767-83-9
• Molecular Formula: C27H51NO3
• Molecular Weight: 437.7
• Nikkaji Number: J1.993.094G
• Mol file: 649767-83-9.mol

Synonyms:GT11 cpd;N-((1R,2S)-2-hydroxy-1-hydroxymethyl-2-(2-tridecyl-1-cyclopropenyl)ethyl)octanamide

Chemical Property of N-((1S,2R)-1,3-Dihydroxy-1-(2-tridecylcycloprop-1-en-1-yl)propan-2-yl)octanamide

Chemical Property:

• PKA: 13.96±0.20(Predicted)
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 22
• Exact Mass: 437.38689449
• Heavy Atom Count: 31
• Complexity: 489

Purity/Quality:

99% ^*data from raw suppliers

N-[(1R,2S)-2-HYDROXY-1-HYDROXYMETHYL-2-(2-TRIDECYL-1-CYCLOPROPENYL)ETHYL]OCTANAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC1=C(C1)C(C(CO)NC(=O)CCCCCCC)O
• Isomeric SMILES: CCCCCCCCCCCCCC1=C(C1)[C@@H]([C@@H](CO)NC(=O)CCCCCCC)O