(2S,4S,5R,6R)-5-(2-chloranylethanoylamino)-2,4-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: (2S,4S,5R,6R)-5-(2-chloranylethanoylamino)-2,4-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2S,4S,5R,6R)-5-[(2-chloroacetyl)amino]-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2S,4S,5R,6R)-5-[(2-chloro-1-oxoethyl)amino]-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2S,4S,5R,6R)-5-[(2-chloroacetyl)amino]-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Traditional Name: (2S,4S,5R,6R)-5-[(2-chloroacetyl)amino]-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C11H18ClNO9 MolecularWeight: 343.71492

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)NC(=O)CCl)O

Isomeric SMILES

C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CCl)O

InChI

InChI=1S/C11H18ClNO9/c12-2-6(17)13-7-4(15)1-11(21,10(19)20)22-9(7)8(18)5(16)3-14/h4-5,7-9,14-16,18,21H,1-3H2,(H,13,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1