Octyl 2-acetamido-2-deoxy-b-D-glucopyranoside

Catalog	DGS147126587
CAS	147126-58-7
Structure
Synonyms	β-D-Glucopyranoside, octyl 2-(acetylamino)-2-deoxy-
IUPAC Name	N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxyoxan-3-yl]acetamide
Molecular Weight	333.42
Molecular Formula	C16H31NO6
InChI	InChI=1S/C16H31NO6/c1-3-4-5-6-7-8-9-22-16-13(17-11(2)19)15(21)14(20)12(10-18)23-16/h12-16,18,20-21H,3-10H2,1-2H3,(H,17,19)/t12-,13-,14-,15-,16-/m1/s1
InChI Key	JXLKQDFJNOXCNT-OXGONZEZSA-N
Melting Point	183-185 °C
Purity	≥95%
Appearance	White to off-white solid
Complexity	341
Exact Mass	333.21513771
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C
MDL Number	MFCD04039658
Monoisotopic Mass	333.21513771
Rotatable Bond Count	10
Topological Polar Surface Area	108 Ų
XLogP3-AA	1.4