DLAC

Catalog	DGS70803564
CAS	70803-56-4
Synonyms	N-decyl-4-O-β-D-galactopyranosyl-D-gluconamide
IUPAC Name	(2R,3R,4R,5R)-N-decyl-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
Molecular Weight	497.6
Molecular Formula	C22H43NO11
InChI	InChI=1S/C22H43NO11/c1-2-3-4-5-6-7-8-9-10-23-21(32)18(30)17(29)20(13(26)11-24)34-22-19(31)16(28)15(27)14(12-25)33-22/h13-20,22,24-31H,2-12H2,1H3,(H,23,32)/t13-,14-,15+,16+,17-,18-,19-,20-,22+/m1/s1
InChI Key	ASKUBOCBWBYYHH-QBCBQYGVSA-N
Purity	≥97%
Solubility	Soluble in water (65mM), methanol and DMSO
Appearance	Powder
Complexity	555
Critical Micelle Concentration	1.3 mM
Exact Mass	497.28361119
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	9
Isomeric SMILES	CCCCCCCCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O
Monoisotopic Mass	497.28361119
Rotatable Bond Count	17
Shipping	Wet ice
Stability	≥1 year
Storage Conditions	-20 °C
Topological Polar Surface Area	209 Ų
XLogP3-AA	-0.7