Specification
IUPAC Name
N-[(2R,3R,4R,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl]acetamide
Canonical SMILES
CC(=O)NC(C=O)C(C(C(CO)O)O)O
InChI
InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8-/m0/s1
InChI Key
MBLBDJOUHNCFQT-OSMVPFSASA-N
Boiling Point
636.4±55.0 °C
Hazard Statements
Xi: Irritant;
Isomeric SMILES
CC(=O)N[C@@H](C=O)[C@H]([C@H]([C@@H](CO)O)O)O
Monoisotopic Mass
221.08993720
pKa
13.04±0.20(Predicted)
Safety Description
22-24/25
Solubility In Water
50 g/L
Topological Polar Surface Area
127 Ų