Hexyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside

Catalog	DGS172945265
CAS	172945-26-5
Structure
Synonyms	Hexyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside
IUPAC Name	[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-hexoxyoxan-2-yl]methyl acetate
Molecular Weight	431.48
Molecular Formula	C20H33NO9
InChI	InChI=1S/C20H33NO9/c1-6-7-8-9-10-26-20-17(21-12(2)22)19(29-15(5)25)18(28-14(4)24)16(30-20)11-27-13(3)23/h16-20H,6-11H2,1-5H3,(H,21,22)/t16-,17-,18-,19-,20-/m1/s1
InChI Key	RZSSLCQNNAGTQY-LASHMREHSA-N
Purity	≥95%
Complexity	595
Exact Mass	431.21553163
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
MDL Number	MFCD08703747
Monoisotopic Mass	431.21553163
Rotatable Bond Count	14
Topological Polar Surface Area	127 Ų
XLogP3-AA	1.5