5-[(3,4,6-Tri-O-acetyl-2-acetylamido-2-deoxy-b-D-galactopyranosyl)oxy]pentanoic acid

Catalog	BBC1159408544
CAS	1159408-54-4
Structure
Synonyms	Pentanoic acid, 5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-
IUPAC Name	5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoic acid
Molecular Weight	447.43
Molecular Formula	C19H29NO11
Canonical SMILES	CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCCCCC(=O)O)COC(=O)C)OC(=O)C)OC(=O)C
InChI	InChI=1S/C19H29NO11/c1-10(21)20-16-18(30-13(4)24)17(29-12(3)23)14(9-28-11(2)22)31-19(16)27-8-6-5-7-15(25)26/h14,16-19H,5-9H2,1-4H3,(H,20,21)(H,25,26)/t14-,16-,17+,18-,19-/m1/s1
InChI Key	CIMKBXFSXWOMDK-IQZDNPOKSA-N
Boiling Point	634.1±55.0 °C
Purity	98%
Density	1.29±0.1 g/ml
Appearance	White powder
pKa	4.68±0.10