2-Deoxy-2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-D-glucose

CAS	186689-07-6
Synonyms	D-Glucose, 2-deoxy-2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-
IUPAC Name	(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanal
Molecular Weight	342.26
Molecular Formula	C12H14N4O8
Canonical SMILES	C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI	InChI=1S/C12H14N4O8/c17-3-6(11(20)12(21)8(19)4-18)13-5-1-2-7(16(22)23)10-9(5)14-24-15-10/h1-3,6,8,11-13,18-21H,4H2/t6-,8+,11+,12+/m0/s1
InChI Key	QUTFFEUUGHUPQC-ILWYWAAHSA-N
Boiling Point	740.0±70.0 °C
Melting Point	137-140 °C
Purity	95%
Density	1.750±0.06 g/ml
pKa	12.96±0.20
Appearance	Dark yellow to orange solid