N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)octanamide

• ChemBase ID: 102952
• Molecular Formular: C15H31NO6
• Molecular Mass: 321.40974
• Monoisotopic Mass: 321.21513772
• SMILES: CCCCCCCC(=O)N(C)CC(O)C(O)C(O)C(O)CO
• Canonical SMILES: CCCCCCCC(=O)N(CC(C(C(C(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
• InChIKey: SBWGZAXBCCNRTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)octanamide
• IUPAC Traditional name: N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)octanamide
• Synonyms: Octanoyl-N-methylglucamide; N-(D-Glucityl)-N-methyloctanamide; OMEGA; N-Methyl-N-octanoyl-D-glucamine; MEGA-8

Database IDs

• CAS Number: 85316-98-9
• PubChem SID: 162091267
• PubChem CID: 4377671

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

Safety Information

• Storage Condition: Room Temperature (15-30°C)

Product Information

• Purity: ~98%

DETAILS

MP Biomedicals - 02150055

Purity: ~98%
A nonionic detergent, transparent in UV region. Excellent for use as a membrane protein solubilizer.

REFERENCES

• Hildreth, J.E.K., Biochem. J. , 207 : 3636, (1982).