(1R,2R,3S,5S,7R)-3-oxidanyl-2-(2-oxidanylethanoylamino)-7-[(1R)-2-oxidanyl-1-sulfooxy-ethyl]-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid

Systemtic Name: (1R,2R,3S,5S,7R)-3-oxidanyl-2-(2-oxidanylethanoylamino)-7-[(1R)-2-oxidanyl-1-sulfooxy-ethyl]-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid Openeye Name: (1R,2R,3S,5S,7R)-3-hydroxy-2-[(2-hydroxyacetyl)amino]-7-[(1R)-2-hydroxy-1-sulfooxy-ethyl]-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid CAS Name: (1R,2R,3S,5S,7R)-3-hydroxy-2-[(2-hydroxy-1-oxoethyl)amino]-7-[(1R)-2-hydroxy-1-sulfooxyethyl]-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid IUPAC Name: (1R,2R,3S,5S,7R)-3-hydroxy-2-[(2-hydroxyacetyl)amino]-7-[(1R)-2-hydroxy-1-sulfooxyethyl]-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid Traditional Name: (1R,2R,3S,5S,7R)-2-(glycoloylamino)-3-hydroxy-7-[(1R)-2-hydroxy-1-sulfoxy-ethyl]-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid Formula: C11H17NO12S MolecularWeight: 387.31718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2C(OC1(O2)C(=O)O)C(CO)OS(=O)(=O)O)NC(=O)CO)O

Isomeric SMILES

C1[C@@H]([C@H]([C@@H]2[C@@H](O[C@]1(O2)C(=O)O)[C@@H](CO)OS(=O)(=O)O)NC(=O)CO)O

InChI

InChI=1S/C11H17NO12S/c13-2-5(24-25(19,20)21)8-9-7(12-6(16)3-14)4(15)1-11(22-8,23-9)10(17)18/h4-5,7-9,13-15H,1-3H2,(H,12,16)(H,17,18)(H,19,20,21)/t4-,5+,7+,8-,9+,11+/m0/s1