Undecyl 2-acetamido-2-deoxy-b-D-glucopyranoside

Catalog	DGS152914686
CAS	152914-68-6
Structure
Synonyms	Undecyl-2-acetamido-2-deoxy-β-D-glucopyranoside
IUPAC Name	N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-undecoxyoxan-3-yl]acetamide
Molecular Weight	375.5
Molecular Formula	C19H37NO6
InChI	InChI=1S/C19H37NO6/c1-3-4-5-6-7-8-9-10-11-12-25-19-16(20-14(2)22)18(24)17(23)15(13-21)26-19/h15-19,21,23-24H,3-13H2,1-2H3,(H,20,22)/t15-,16-,17-,18-,19-/m1/s1
InChI Key	YVUVVLZNFPKUFE-FVVUREQNSA-N
Boiling Point	583.7±50.0 °C (Predicted)
Purity	≥95%
Density	1.12±0.1 g/cm³ (Predicted)
Complexity	381
Exact Mass	375.26208790
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C
MDL Number	MFCD08703974
Monoisotopic Mass	375.26208790
pKa	13.00±0.70 (Predicted)
Rotatable Bond Count	13
Topological Polar Surface Area	108 Ų
XLogP3-AA	3