cyclohexanamine; (1-oxidanyl-3-phosphonooxy-propan-2-yl) dihydrogen phosphate

Systemtic Name: cyclohexanamine; (1-oxidanyl-3-phosphonooxy-propan-2-yl) dihydrogen phosphate Openeye Name: cyclohexanamine; [1-(hydroxymethyl)-2-phosphonooxy-ethyl] dihydrogen phosphate CAS Name: cyclohexanamine; (1-hydroxy-3-phosphonooxypropan-2-yl) dihydrogen phosphate IUPAC Name: cyclohexanamine; (1-hydroxy-3-phosphonooxypropan-2-yl) dihydrogen phosphate Traditional Name: cyclohexylamine; (3-hydroxy-2-phosphonooxy-propyl) dihydrogen phosphate Formula: C33H75N5O9P2 MolecularWeight: 747.924222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C(C(COP(=O)(O)O)OP(=O)(O)O)O

Isomeric SMILES

C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C(C(COP(=O)(O)O)OP(=O)(O)O)O

InChI

InChI=1S/5C6H13N.C3H10O9P2/c5*7-6-4-2-1-3-5-6;4-1-3(12-14(8,9)10)2-11-13(5,6)7/h5*6H,1-5,7H2;3-4H,1-2H2,(H2,5,6,7)(H2,8,9,10)