Nonanoyl-N-hydroxyethylglucamide

Catalog	DGS869653907
CAS	869653-90-7
Structure
Synonyms	HEGA-9
IUPAC Name	N-(2-hydroxyethyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
Molecular Weight	365.46
Molecular Formula	C17H35NO7
Canonical SMILES	CCCCCCCCC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O
InChI	InChI=1S/C17H35NO7/c1-2-3-4-5-6-7-8-15(23)18(9-10-19)11-13(21)16(24)17(25)14(22)12-20/h13-14,16-17,19-22,24-25H,2-12H2,1H3/t13-,14+,16+,17+/m0/s1
InChI Key	REPLXGVUTGZQCG-XOSAIJSUSA-N
Purity	≥98%
Solubility	≥20% (in water at 0-5 °C)
Appearance	White to off-white solid
Aggregation Number	~ 5
Complexity	343
Conductance	<100 μS (10% solution in water)
Critical Micelle Concentration	(H₂O) ~ 39 mM (1.4%)
Exact Mass	365.24135246
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	6
Isomeric SMILES	CCCCCCCCC(=O)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Monoisotopic Mass	365.24135246
pH	5-8 (1% solution in water)
Rotatable Bond Count	15
Topological Polar Surface Area	142 Ų
XLogP3-AA	-0.6