(1-14C)hexadecanoic acid

• ChemBase ID: 131112
• Molecular Formular: C16H32O2
• Molecular Mass: 258.41662199
• Monoisotopic Mass: 258.24347225
• SMILES: CCCCCCCCCCCCCCC[14C](=O)O
• Canonical SMILES: CCCCCCCCCCCCCCC[14C](=O)O
• InChI: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i16+2
• InChIKey: IPCSVZSSVZVIGE-VPMSBSONSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-^1^4C)hexadecanoic acid
• IUPAC Traditional name: (1-^1^4C)hexadecanoic acid
• Synonyms: Palmitic-(carboxy-14C) acid

Database IDs

• CAS Number: 765-07-1
• MDL Number: MFCD00055822
• PubChem SID: 162225390
• PubChem CID: 164729

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.600777
• LogD (pH = 7.4): 3.8416421
• Log P: 6.2565827
• Molar Refractivity: 77.0836 cm^3
• Polarizability: 30.713764 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 2910
• German water hazard class: 3
• Hazard Class: 7
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• RID/ADR: UN 2910 7
• Storage Temperature: 2-8°C

Product Information

• Extent of Labeling: 1-15 mCi per mmol

DETAILS

Sigma Aldrich - 313920

包装
screw cap bottle