Octyl glucose neopentyl glycol

Catalog	DGS1257853329
CAS	1257853-32-9
Synonyms	2,2-Dihexylpropane-1,3-bis b-D-glucopyranoside; Octyl MNG
IUPAC Name	(2S,3S,4R,5R,6S)-2-[2-hexyl-2-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]octoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	568.69
Molecular Formula	C27H52O12
InChI	InChI=1S/C27H52O12/c1-3-5-7-9-11-27(12-10-8-6-4-2,15-36-25-23(34)21(32)19(30)17(13-28)38-25)16-37-26-24(35)22(33)20(31)18(14-29)39-26/h17-26,28-35H,3-16H2,1-2H3/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m0/s1
InChI Key	TYXCLOLHZMMLEK-RNDJEAJNSA-N
Purity	≥98%
Solubility	≥20% (in water at 20 °C)
Appearance	White to off-white powder
Complexity	600
Conductance	<100 μS (10% solution in water)
Critical Micelle Concentration	(H2O) ~ 1.02 mM (0.058%)
Exact Mass	568.34587709
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	8
Isomeric SMILES	CCCCCCC(CCCCCC)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O
MDL Number	MFCD22124160
Monoisotopic Mass	568.34587709
pH	5-8 (1% solution in water)
Rotatable Bond Count	18
Topological Polar Surface Area	199 Ų
XLogP3-AA	1.9