cyclohexanamine; [(1R,3R)-2,3-diphosphonooxycyclohexyl] dihydrogen phosphate

Systemtic Name: cyclohexanamine; [(1R,3R)-2,3-diphosphonooxycyclohexyl] dihydrogen phosphate Openeye Name: cyclohexanamine; [(1R,3R)-2,3-diphosphonooxycyclohexyl] dihydrogen phosphate CAS Name: cyclohexanamine; [(1R,3R)-2,3-diphosphonooxycyclohexyl] dihydrogen phosphate IUPAC Name: cyclohexanamine; [(1R,3R)-2,3-diphosphonooxycyclohexyl] dihydrogen phosphate Traditional Name: cyclohexylamine; [(1R,3R)-2,3-diphosphonooxycyclohexyl] dihydrogen phosphate Formula: C30H67N4O12P3 MolecularWeight: 768.793863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1CC(C(C(C1)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1C[C@H](C([C@@H](C1)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/4C6H13N.C6H15O12P3/c4*7-6-4-2-1-3-5-6;7-19(8,9)16-4-2-1-3-5(17-20(10,11)12)6(4)18-21(13,14)15/h4*6H,1-5,7H2;4-6H,1-3H2,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)/t;;;;4-,5-/m....1/s1