(2S,4S,5R,6R)-5-[[(E)-3-bromanylprop-2-enoyl]amino]-2-methoxy-4-oxidanyl-6-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: (2S,4S,5R,6R)-5-[[(E)-3-bromanylprop-2-enoyl]amino]-2-methoxy-4-oxidanyl-6-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2S,4S,5R,6R)-5-[[(E)-3-bromoprop-2-enoyl]amino]-4-hydroxy-2-methoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2S,4S,5R,6R)-5-[[(E)-3-bromo-1-oxoprop-2-enyl]amino]-4-hydroxy-2-methoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2S,4S,5R,6R)-5-[[(E)-3-bromoprop-2-enoyl]amino]-4-hydroxy-2-methoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Traditional Name: (2S,4S,5R,6R)-5-[[(E)-3-bromoacryloyl]amino]-4-hydroxy-2-methoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C13H20BrNO9 MolecularWeight: 414.2032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(CC(C(C(O1)C(C(CO)O)O)NC(=O)C=CBr)O)C(=O)O

Isomeric SMILES

CO[C@]1(C[C@@H]([C@H]([C@@H](O1)[C@H]([C@@H](CO)O)O)NC(=O)/C=C/Br)O)C(=O)O

InChI

InChI=1S/C13H20BrNO9/c1-23-13(12(21)22)4-6(17)9(15-8(19)2-3-14)11(24-13)10(20)7(18)5-16/h2-3,6-7,9-11,16-18,20H,4-5H2,1H3,(H,15,19)(H,21,22)/b3-2+/t6-,7+,9+,10-,11+,13-/m0/s1