Chemical Component Summary

Name4-nitrophenyl beta-D-glucopyranosiduronic acid
Synonyms4-nitrophenyl beta-D-glucosiduronic acid; 4-nitrophenyl D-glucosiduronic acid; 4-nitrophenyl glucosiduronic acid
Identifiers(2~{S},3~{S},4~{S},5~{R},6~{S})-6-(4-nitrophenoxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
FormulaC12 H13 N O9
Molecular Weight315.233
TypeD-SACCHARIDE
Isomeric SMILESc1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChIInChI=1S/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1
InChIKeyQSUILVWOWLUOEU-GOVZDWNOSA-N

Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count5
Bond Count36
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 82565
ChEMBL CHEMBL495244
ChEBI CHEBI:90146