N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide

• ChemBase ID: 138042
• Molecular Formular: C15H31NO6
• Molecular Mass: 321.40974
• Monoisotopic Mass: 321.21513772
• SMILES: CCCCCCCC(=O)N(C)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
• Canonical SMILES: CCCCCCCC(=O)N(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C
• InChI: InChI=1S/C15H31NO6/c1-3-4-5-6-7-8-13(20)16(2)9-11(18)14(21)15(22)12(19)10-17/h11-12,14-15,17-19,21-22H,3-10H2,1-2H3/t11-,12+,14+,15+/m0/s1
• InChIKey: SBWGZAXBCCNRTM-CTHBEMJXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
• IUPAC Traditional name: N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
• Synonyms: Detergent Screening Solution 35/Fluka kit no 66317; MEGA-8 solution; MEGA-8 500 mM solution; MEGA-8; OMEGA; N-(D-Glucityl)-N-methyloctanamide; N-Methyl-N-octanoyl-D-glucamine; N-Octanoyl-N-methylglucamine; N-(D-葡糖基)-N-甲基辛酰胺; N-甲基-N-辛酰基-D-葡糖胺; N-辛酰基-N-甲基葡糖胺

Database IDs

• CAS Number: 85316-98-9
• MDL Number: MFCD00134152
• Beilstein Number: 5816747
• PubChem SID: 24897973; 162232301; 24864627
• PubChem CID: 160091

CALCULATED PROPERTIES

• Acid pKa: 12.646883
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -0.87100077
• LogD (pH = 7.4): -0.8710013
• Log P: -0.8709988
• Molar Refractivity: 82.0335 cm^3
• Polarizability: 32.75603 Å^3
• Polar Surface Area: 121.46 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble50 mg/mL, clear, colorless
• Critical Micelle Concentration: 58; 58 mM(20-25°C)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97%; ≥98.0% (TLC); 98%
• Description: non-ionic
• Cation Traces: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Product Line: BioXtra
• Empirical Formula (Hill Notation): C15H31NO6

DETAILS

Sigma Aldrich - O3129

Application
Non-ionic detergent used for the solubilization of proteins

Sigma Aldrich - 74881

Other Notes
Water soluble detergent with high solubilising power and non-denaturating properties. Readily removed by dialysis.; Does not interfere with the monitoring of proteins at 280 nm1