Mega-8

• Catalog Number: ACM85316989
• Product Name: Mega-8
• CAS: 85316-98-9
• Category: Heterocyclic Organic Compound
• Synonyms: N-octanoyl-N-Methylglucamine
• IUPAC Name: N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
• Molecular Weight: 321.4
• Molecular Formula: C15H31NO6
• 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
• InChI Key: SBWGZAXBCCNRTM-CTHBEMJXSA-N
• Boiling Point: 581.8±50.0 °C (Predicted)
• Melting Point: 80-90 °C
• Flash Point: 305.6ºC
• Density: 1.192±0.06 g/cm³ (Predicted)
• Solubility: DMF: 30 mg/mL; DMSO: 30 mg/mL; DMSO:PBS (pH 7.2) (1:2): 0.33 mg/mL; Ethanol: 1 mg/mL
• Appearance: A crystalline solid
• Complexity: 302
• EC Number: 617-702-3
• Exact Mass: 321.21513771
• Formal Charge: 0
• Hazard Statements: F,C
• H-Bond Acceptor: 6
• H-Bond Donor: 5
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 5
• Isomeric SMILES: CCCCCCCC(=O)N(C)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
• Monoisotopic Mass: 321.21513771
• pH: 5-8 (1% solution in water)
• pKa: 13.44±0.20 (Predicted)
• Rotatable Bond Count: 12
• Safety Description: 16-26-36/37/39-45
• Shipping: Room temperature
• Stability: ≥2 years
• Storage Conditions: -20 °C
• Topological Polar Surface Area: 122 Ų
• WGK Germany: 3
• XLogP3-AA: -0.4