Octanoyl D-glucopyranoside

Catalog	DGS60415658
CAS	60415-65-8
Synonyms	Oxo-octyl-D-glucoside
IUPAC Name	[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] octanoate
Molecular Weight	306.35
Molecular Formula	C14H26O7
InChI	InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(16)21-14-13(19)12(18)11(17)9(8-15)20-14/h9,11-15,17-19H,2-8H2,1H3/t9-,11-,12+,13-,14?/m1/s1
InChI Key	MHQWMCFSLKPQTC-GQYPCLOQSA-N
Purity	≥98%
Appearance	White to off-white solid
Complexity	310
Exact Mass	306.16785316
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCC(=O)OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
MDL Number	MFCD00066997
Monoisotopic Mass	306.16785316
Rotatable Bond Count	9
Topological Polar Surface Area	116 Ų
XLogP3-AA	1