N-(3,4,5,6-tetrahydroxy-1-oxo-hexan-2-yl)benzamide

Catalog	BBC655425
CAS	655-42-5
Structure
Synonyms	2-Benzoylamino-2-deoxy-D-glucose
IUPAC Name	N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide
Molecular Weight	283.28
Molecular Formula	C13H17NO6
Canonical SMILES	C1=CC=C(C=C1)C(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI	InChI=1S/C13H17NO6/c15-6-9(11(18)12(19)10(17)7-16)14-13(20)8-4-2-1-3-5-8/h1-6,9-12,16-19H,7H2,(H,14,20)/t9-,10+,11+,12+/m0/s1
InChI Key	QCYHKZRHOGVACA-IRCOFANPSA-N
Boiling Point	682.4±55.0 °C
Melting Point	196-200 °C
Purity	98%
Density	1.408±0.06 g/ml
Appearance	Solid
pKa	12.78±0.46
Refractive Index	43 ° (C=2, H2O)