(3R,4S,5S,6R)-6-[[[(5S,6R)-6-(hydroxymethyl)-5-oxidanyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl]amino]methyl]oxane-2,3,4,5-tetrol; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (3R,4S,5S,6R)-6-[[[(5S,6R)-6-(hydroxymethyl)-5-oxidanyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl]amino]methyl]oxane-2,3,4,5-tetrol; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (3R,4S,5S,6R)-6-[[[(5S,6R)-5-hydroxy-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl]amino]methyl]tetrahydropyran-2,3,4,5-tetrol; 2,2,2-trifluoroacetate CAS Name: (3R,4S,5S,6R)-6-[[[(5S,6R)-5-hydroxy-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl]amino]methyl]oxane-2,3,4,5-tetrol; 2,2,2-trifluoroacetate IUPAC Name: (3R,4S,5S,6R)-6-[[[(5S,6R)-5-hydroxy-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl]amino]methyl]oxane-2,3,4,5-tetrol; 2,2,2-trifluoroacetate Traditional Name: (3R,4S,5S,6R)-6-[[[(5S,6R)-5-hydroxy-6-methylol-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl]amino]methyl]tetrahydropyran-2,3,4,5-tetrol; 2,2,2-trifluoroacetate Formula: C13H22F3N3O9 MolecularWeight: 421.32369

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(NC(=[NH+]1)NCC2C(C(C(C(O2)O)O)O)O)CO)O.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1[C@@H]([C@H](NC(=[NH+]1)NC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)CO)O.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C11H21N3O7.C2HF3O2/c15-3-4-5(16)1-12-11(14-4)13-2-6-7(17)8(18)9(19)10(20)21-6;3-2(4,5)1(6)7/h4-10,15-20H,1-3H2,(H2,12,13,14);(H,6,7)/t4-,5+,6-,7-,8+,9-,10?;/m1./s1