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

Catalog	DGS173725229
CAS	173725-22-9
Structure
Synonyms	Octyl 2-(Acetylamino)-2-deoxy-β-D-glucopyranoside 3,4,6-triacetate
IUPAC Name	[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-octoxyoxan-2-yl]methyl acetate
Molecular Weight	459.53
Molecular Formula	C22H37NO9
InChI	InChI=1S/C22H37NO9/c1-6-7-8-9-10-11-12-28-22-19(23-14(2)24)21(31-17(5)27)20(30-16(4)26)18(32-22)13-29-15(3)25/h18-22H,6-13H2,1-5H3,(H,23,24)/t18-,19-,20-,21-,22-/m1/s1
InChI Key	MKWRBOCGIQFSER-ZGJYDULXSA-N
Purity	≥95%
Appearance	White solid
Complexity	625
Exact Mass	459.24683176
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCO[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	MFCD08703875
Monoisotopic Mass	459.24683176
Rotatable Bond Count	16
Topological Polar Surface Area	127 Ų
XLogP3-AA	2.5