Tetradecyl 2-acetamido-2-deoxy-b-D-glucopyranoside

Catalog	DGS152914697
CAS	152914-69-7
Structure
Synonyms	β-D-Glucopyranoside, tetradecyl 2-(acetylamino)-2-deoxy-
IUPAC Name	N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-tetradecoxyoxan-3-yl]acetamide
Molecular Weight	417.58
Molecular Formula	C22H43NO6
InChI	InChI=1S/C22H43NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-28-22-19(23-17(2)25)21(27)20(26)18(16-24)29-22/h18-22,24,26-27H,3-16H2,1-2H3,(H,23,25)/t18-,19-,20-,21-,22-/m1/s1
InChI Key	JLPZXNCGJDELHT-ZGJYDULXSA-N
Boiling Point	610.5±55.0 °C (Predicted)
Purity	≥95%
Density	1.09±0.1 g/cm³ (Predicted)
Complexity	422
Exact Mass	417.30903809
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C
MDL Number	MFCD08703939
Monoisotopic Mass	417.30903809
pKa	13.00±0.70 (Predicted)
Rotatable Bond Count	16
Topological Polar Surface Area	108 Ų
XLogP3-AA	4.6