Undecyl b-D-maltopyranoside

Catalog	DGS253678670
CAS	253678-67-0
Structure
Synonyms	Undecyl 4-O-a-D-glucopyranosyl-b-D-glucopyranoside
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-undecoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	496.59
Molecular Formula	C23H44O11
InChI	InChI=1S/C23H44O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1
InChI Key	UYEMNFYVTFDKRG-ZNGNCRBCSA-N
Boiling Point	696.4±55.0 °C (Predicted)
Purity	≥99%
Density	1.30±0.1 g/cm³ (Predicted)
Solubility	≥20% (in water at 0-5 °C)
Appearance	White to off white powder
Aggregation Number	(100 mM NaCl, 20 mM HEPES pH 7.5) ~ 71
Complexity	539
Conductance	<40 μS (10% solution in water)
Critical Micelle Concentration	(H2O) ~ 0.59 mM (0.029%)
EC Number	605-582-5
Exact Mass	496.28836222
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	7
Isomeric SMILES	CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
MDL Number	MFCD01863130
Monoisotopic Mass	496.28836222
pH	5-8 (1% solution in water)
pKa	12.82±0.70 (Predicted)
Rotatable Bond Count	15
Storage Conditions	-20 °C
Topological Polar Surface Area	179 Ų
XLogP3-AA	0.8