(2S,3S,4S,5R)-6-[methyl(phenyl)amino]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R)-6-[methyl(phenyl)amino]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(N-methylanilino)oxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(N-methylanilino)oxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(N-methylanilino)oxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(N-methylanilino)oxy-tetrahydropyran-2-carboxylic acid Formula: C13H17NO7 MolecularWeight: 299.27658

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O

Isomeric SMILES

CN(C1=CC=CC=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

InChI

InChI=1S/C13H17NO7/c1-14(7-5-3-2-4-6-7)21-13-10(17)8(15)9(16)11(20-13)12(18)19/h2-6,8-11,13,15-17H,1H3,(H,18,19)/t8-,9-,10+,11-,13?/m0/s1