Undecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranose

Catalog	DGS173725241
CAS	173725-24-1
Structure
Synonyms	Undecyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside 3,4,6-triacetate
IUPAC Name	[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-undecoxyoxan-2-yl]methyl acetate
Molecular Weight	501.61
Molecular Formula	C25H43NO9
InChI	InChI=1S/C25H43NO9/c1-6-7-8-9-10-11-12-13-14-15-31-25-22(26-17(2)27)24(34-20(5)30)23(33-19(4)29)21(35-25)16-32-18(3)28/h21-25H,6-16H2,1-5H3,(H,26,27)/t21-,22-,23-,24-,25-/m1/s1
InChI Key	JGFIEQXFILUYQO-FXEFVXDJSA-N
Purity	≥95%
Complexity	669
Exact Mass	501.29378195
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCO[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	MFCD08703973
Monoisotopic Mass	501.29378195
Rotatable Bond Count	19
Topological Polar Surface Area	127 Ų
XLogP3-AA	4.2