2,5-dioxopyrrolidin-1-yl hexacosanoate

• ChemBase ID: 169896
• Molecular Formular: C30H55NO4
• Molecular Mass: 493.762
• Monoisotopic Mass: 493.41310925
• SMILES: C(CCCCCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O)C
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C30H55NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30(34)35-31-28(32)26-27-29(31)33/h2-27H2,1H3
• InChIKey: ZTTCVLLRTUELJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dioxopyrrolidin-1-yl hexacosanoate
• IUPAC Traditional name: 2,5-dioxopyrrolidin-1-yl hexacosanoate
• Synonyms: Hexacosanoic Acid 2,5-Dioxo-1-pyrrolidinyl Ester; 1-[(1-Oxohexacosyl)oxy]-2,5-pyrrolidinedione; N-(Hexacosanoyloxy)succinimide

Database IDs

• CAS Number: 22102-68-7
• PubChem SID: 162264028
• PubChem CID: 11397787

CALCULATED PROPERTIES

• Acid pKa: 17.709124
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 10.071855
• LogD (pH = 7.4): 10.071855
• Log P: 10.071855
• Molar Refractivity: 143.6474 cm^3
• Polarizability: 57.2996 Å^3
• Polar Surface Area: 63.68 Å^2
• Rotatable Bonds: 26
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: White to Pale Yellow Solid
• Melting Point: 100-102°C

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere