Decyl maltose neopentyl glycol

Catalog	DGS1257852995
CAS	1257852-99-5
Synonyms	2,2-Dioctylpropane-1,3-bis b-D-maltopyranoside; Decyl MNG
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[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]-2-octyldecoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	949.08
Molecular Formula	C43H80O22
InChI	InChI=1S/C43H80O22/c1-3-5-7-9-11-13-15-43(16-14-12-10-8-6-4-2,21-58-39-35(56)31(52)37(25(19-46)62-39)64-41-33(54)29(50)27(48)23(17-44)60-41)22-59-40-36(57)32(53)38(26(20-47)63-40)65-42-34(55)30(51)28(49)24(18-45)61-42/h23-42,44-57H,3-22H2,1-2H3/t23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1
InChI Key	GDAZOFIUKHGYGD-VLJUBQHSSA-N
Boiling Point	1083.6±65.0 °C (Predicted)
Purity	≥95%
Density	1.41±0.1 g/cm³ (Predicted)
Solubility	≥20% (in water at 20 °C)
Appearance	white to off-white powder
Complexity	1200
Conductance	<100 μS (10% solution in water)
Critical Micelle Concentration	(H2O) ~ 0.036mM (0.0034%)
Exact Mass	948.51412418
Formal Charge	0
Heavy Atom Count	65
Hydrogen Bond Acceptor Count	22
Hydrogen Bond Donor Count	14
Isomeric SMILES	CCCCCCCCC(CCCCCCCC)(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	MFCD22124158
Monoisotopic Mass	948.51412418
pH	5-8 (1% solution in water)
pKa	12.50±0.70 (Predicted)
Rotatable Bond Count	28
Topological Polar Surface Area	357 Ų
XLogP3-AA	-0.2