DDLAC

Catalog	DGS69313684
CAS	69313-68-4
Synonyms	N-dodecyl-4-O-β-D-galactopyranosyl-D-gluconamide
IUPAC Name	(2R,3R,4R,5R)-N-dodecyl-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
Molecular Weight	525.6
Molecular Formula	C24H47NO11
InChI	InChI=1S/C24H47NO11/c1-2-3-4-5-6-7-8-9-10-11-12-25-23(34)20(32)19(31)22(15(28)13-26)36-24-21(33)18(30)17(29)16(14-27)35-24/h15-22,24,26-33H,2-14H2,1H3,(H,25,34)/t15-,16-,17+,18+,19-,20-,21-,22-,24+/m1/s1
InChI Key	LFNJILUYRQKLJY-NUECYJFZSA-N
Purity	≥95%
Solubility	Soluble in water (1.25mM), methanol and DMSO
Appearance	White powder
Complexity	584
Critical Micelle Concentration	0.25 mM
Exact Mass	525.31491132
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	9
Isomeric SMILES	CCCCCCCCCCCCNC(=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	525.31491132
Rotatable Bond Count	19
Shipping	Wet ice
Stability	≥1 year
Storage Conditions	-20 °C
Topological Polar Surface Area	209 Ų
XLogP3-AA	0.4