Ac-phe-ome

• Catalog Number: ACM3618960
• Product Name: Ac-phe-ome
• CAS: 3618-96-0
• Category: Heterocyclic Organic Compound
• Description: AC-PHE-OME is a marine derived natural products found in Family Jaspidae.
• Synonyms: Methyl N-acetyl-L-phenylalaninate
• IUPAC Name: Methyl (2S)-2-acetamido-3-phenylpropanoate
• Molecular Weight: 221.25
• Molecular Formula: C₁₂H₁₅NO₃
• Canonical SMILES: CC(=O)NC(CC1=CC=CC=C1)C(=O)OC
• InChI: InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14)/t11-/m0/s1
• InChI Key: IKGHIFGXPVLPFD-NSHDSACASA-N
• Boiling Point: 391ºC at 760mmHg
• Flash Point: 190.3ºC
• Density: 1.117 g/cm³
• Complexity: 247
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Exact Mass: 221.10519334
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 16
• Isomeric SMILES: CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC
• Monoisotopic Mass: 221.10519334
• Physical State: Powder
• Storage Conditions: Powder: -20°C for 3 years In solvent: -80°C for 2 years
• Topological Polar Surface Area: 55.4 Ų