ol

• ChemBase ID: 145089
• Molecular Formular: C23H44NO4
• Molecular Mass: 398.59976
• Monoisotopic Mass: 398.32703389
• SMILES: CCC1(N(C(CO1)(C)C)[O])CCCCCCCCCCCCCCC(=O)OC
• Canonical SMILES: COC(=O)CCCCCCCCCCCCCCC1(CC)OCC(N1[O])(C)C
• InChI: InChI=1S/C23H44NO4/c1-5-23(24(26)22(2,3)20-28-23)19-17-15-13-11-9-7-6-8-10-12-14-16-18-21(25)27-4/h5-20H2,1-4H3
• InChIKey: XVQIOHOXFFTSLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: 2-Ethyl-2-(15-methoxy-15-oxopentadecyl)-4,4-dimethyl-3-oxazolidinyloxy, free radical; 16-Doxyl-stearic acid methyl ester; 4,4-二甲基-2-乙基-2-(15-甲氧基-15-氧代十五烷基)-3-噁唑烷基氧自由基; 甲基 16-Doxyl-硬脂酸

Database IDs

• CAS Number: 59719-53-8
• MDL Number: MFCD00010155
• PubChem SID: 162239299; 24855316
• PubChem CID: 2724322

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.455398
• LogD (pH = 7.4): 6.455398
• Log P: 6.455398
• Molar Refractivity: 113.3265 cm^3
• Polarizability: 45.53711 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235 °F

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C23H44NO4

DETAILS

Sigma Aldrich - 253626

Application
Spin label reagent useful for the study of membrane fluidity by electron spin resonance spectrophotometry.
Packaging
10, 25 mg in glass bottle