Heptadecyl 2-acetamido-2-deoxy-b-D-glucopyranoside

Catalog	DGS262856906
CAS	262856-90-6
Structure
Synonyms	β-D-Glucopyranoside, heptadecyl 2-(acetylamino)-2-deoxy-
IUPAC Name	N-[(2R,3R,4R,5S,6R)-2-heptadecoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Molecular Weight	459.66
Molecular Formula	C25H49NO6
InChI	InChI=1S/C25H49NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-25-22(26-20(2)28)24(30)23(29)21(19-27)32-25/h21-25,27,29-30H,3-19H2,1-2H3,(H,26,28)/t21-,22-,23-,24-,25-/m1/s1
InChI Key	DCEHHNFIKAKYJW-FXEFVXDJSA-N
Boiling Point	637.8±55.0 °C (Predicted)
Purity	≥95%
Density	1.06±0.1 g/cm³ (Predicted)
Complexity	464
Exact Mass	459.35598828
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C
MDL Number	MFCD08703740
Monoisotopic Mass	459.35598828
pKa	13.00±0.70 (Predicted)
Rotatable Bond Count	19
Topological Polar Surface Area	108 Ų
XLogP3-AA	6.2