4-Nitrophenylb-D-thiomannopyranoside

CAS	55385-51-8
Structure
Synonyms	p-Nitrophenyl β-D-Thiomannopyranoside
IUPAC Name	(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(4-nitrophenyl)sulfanyloxane-3,4,5-triol
Molecular Weight	317.32
Molecular Formula	C12H15NO7S
Canonical SMILES	C1=CC(=CC=C1[N+](=O)[O-])S[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI	InChI=1S/C12H15NO7S/c14-5-8-9(15)10(16)11(17)12(20-8)21-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11+,12+/m1/s1
InChI Key	IXFOBQXJWRLXMD-GCHJQGSQSA-N
Boiling Point	595.1ºC at 760 mmHg
Melting Point	209-211 °C
Flash Point	313.7ºC
Purity	98%
Density	1.63g/cm³
Appearance	Pale yellow solid