cyclohexanamine; [(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate

Systemtic Name: cyclohexanamine; [(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate Openeye Name: cyclohexanamine; [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)tetrahydropyran-2-yl] dihydrogen phosphate CAS Name: cyclohexanamine; [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)-2-oxanyl] dihydrogen phosphate IUPAC Name: cyclohexanamine; [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate Traditional Name: cyclohexylamine; [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)tetrahydropyran-2-yl] dihydrogen phosphate Formula: C12H27NO12P2 MolecularWeight: 439.289802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N.C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O

Isomeric SMILES

C1CCC(CC1)N.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O

InChI

InChI=1S/C6H13N.C6H14O12P2/c7-6-4-2-1-3-5-6;7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h6H,1-5,7H2;2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t;2-,3-,4+,5-,6-/m.1/s1