Heptyl b-D-glucopyranoside

Catalog	DGS78617126
CAS	78617-12-6
Structure
Synonyms	n-Heptyl-β-D-Glucoside
IUPAC Name	(2R,3R,4S,5S,6R)-2-heptoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	278.34
Molecular Formula	C13H26O6
InChI	InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13-/m1/s1
InChI Key	NIDYWHLDTIVRJT-UJPOAAIJSA-N
Melting Point	74-75 °C
Purity	≥99%
Solubility	≥20% (in water at 0-5 °C)
Appearance	White to off-white crystalline powder
Complexity	237
Conductance	<40 μS (10% solution in water)
Critical Micelle Concentration	(H2O) ~ 70 mM (1.9%)
Exact Mass	278.17293854
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
MDL Number	MFCD00063299
Monoisotopic Mass	278.17293854
pH	5-8 (1% solution in water)
Rotatable Bond Count	8
Topological Polar Surface Area	99.4 Ų
XLogP3-AA	0.8