80095-44-9 , 4-Nitrophenyl 2-acetamido-2-deoxy-b-D-glucopyranoside-6-sulfate potassium salt;

80095-44-9 , 4-Nitrophenyl 2-acetamido-2-deoxy-b-D-glucopyranoside-6-sulfate potassium salt;
Cas:80095-44-9
C14H18N2O11S / 422.37
MFCD00083673

4-Nitrophenyl 2-acetamido-2-deoxy-b-D-glucopyranoside-6-sulfate potassium salt;

CAS Number	80095-44-9
Product Name	4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose
IUPAC Name	[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methyl hydrogen sulfate
Molecular Formula	C14H18N2O11S
Molecular Weight	422.37 g/mol
InChI	InChI=1S/C14H18N2O11S/c1-7(17)15-11-13(19)12(18)10(6-25-28(22,23)24)27-14(11)26-9-4-2-8(3-5-9)16(20)21/h2-5,10-14,18-19H,6H2,1H3,(H,15,17)(H,22,23,24)/t10-,11-,12-,13-,14-/m1/s1
InChI Key	UGJNMWVITHXKNR-DHGKCCLASA-N
SMILES	CC(=O)NC1C(C(C(OC1OC2=CC=C(C=C2)[N+](=O)[O-])COS(=O)(=O)O)O)O
Synonyms	4-nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose, NPSADG, PNP-GlcNAc-6-SO4
Canonical SMILES	CC(=O)NC1C(C(C(OC1OC2=CC=C(C=C2)[N+](=O)[O-])COS(=O)(=O)O)O)O
Isomeric SMILES	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=C(C=C2)[N+](=O)[O-])COS(=O)(=O)O)O)O