Mega-8

Catalog	DGS85316989
CAS	85316-98-9
Structure
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
Purity	≥98%
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
Conductance	<80 μS (10% solution in water)
Critical Micelle Concentration	70 mM under no-salt conditions
EC Number	617-702-3
Exact Mass	321.21513771
Formal Charge	0
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
Shipping	Room temperature
Stability	≥2 years
Storage Conditions	-20 °C
Topological Polar Surface Area	122 Ų
XLogP3-AA	-0.4