Lauryl maltose neopentyl glycol

Catalog	DGS1257852962
CAS	1257852-96-2
Synonyms	2,2-didecylpropane-1,3-bis b-D-maltopyranoside; Lauryl MNG
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[2-decyl-2-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]dodecoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	1005.19
Molecular Formula	C47H88O22
InChI	InChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m1/s1
InChI Key	MADJBYLAYPCCOO-VWHTXWAPSA-N
Purity	≥97%
Solubility	≥5% (in water at 20 °C)
Appearance	White to off-white powder
Complexity	1260
Conductance	<100 μS (5% solution in water)
Critical Micelle Concentration	(H₂O) ~ 0.01mM (0.001%)
Exact Mass	1004.57672443
Formal Charge	0
Heavy Atom Count	69
Hydrogen Bond Acceptor Count	22
Hydrogen Bond Donor Count	14
Isomeric SMILES	CCCCCCCCCCC(CCCCCCCCCC)(CO[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)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
MDL Number	MFCD22124159
Monoisotopic Mass	1004.57672443
pH	5-8 (1% solution in water)
Rotatable Bond Count	32
Topological Polar Surface Area	357 Ų
XLogP3-AA	1.9