Cyclohexylpropanoyl-N-Hydroxyethylglucamide

Catalog	DGS864434140
CAS	864434-14-0
Synonyms	C-HEGA-9
IUPAC Name	3-cyclohexyl-N-(2-hydroxyethyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
Molecular Weight	363.45
Molecular Formula	C17H33NO7
Canonical SMILES	C1CCC(CC1)CCC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O
InChI	InChI=1S/C17H33NO7/c19-9-8-18(10-13(21)16(24)17(25)14(22)11-20)15(23)7-6-12-4-2-1-3-5-12/h12-14,16-17,19-22,24-25H,1-11H2/t13-,14+,16+,17+/m0/s1
InChI Key	AHJZPLOICPCLQM-XOSAIJSUSA-N
Purity	≥99%
Solubility	≥20% (in water at 20 °C)
Appearance	White to off-white powder
Complexity	376
Conductance	<100 μS (10% solution in water)
Critical Micelle Concentration	(H₂O) ~ 108 mM (3.9%)
Exact Mass	363.22570239
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	6
Isomeric SMILES	C1CCC(CC1)CCC(=O)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Monoisotopic Mass	363.22570239
pH	5-8 (1% solution in water)
Rotatable Bond Count	11
Topological Polar Surface Area	142 Ų
XLogP3-AA	-1.1