[(2S,3R,4S,5R,6R)-2-(4-nitrophenoxy)-3,5-diphosphonooxy-6-(phosphonooxymethyl)oxan-4-yl] dihydrogen phosphate

Systemtic Name: [(2S,3R,4S,5R,6R)-2-(4-nitrophenoxy)-3,5-diphosphonooxy-6-(phosphonooxymethyl)oxan-4-yl] dihydrogen phosphate Openeye Name: [(2S,3R,4S,5R,6R)-2-(4-nitrophenoxy)-3,5-diphosphonooxy-6-(phosphonooxymethyl)tetrahydropyran-4-yl] dihydrogen phosphate CAS Name: [(2S,3R,4S,5R,6R)-2-(4-nitrophenoxy)-3,5-diphosphonooxy-6-(phosphonooxymethyl)-4-oxanyl] dihydrogen phosphate IUPAC Name: [(2S,3R,4S,5R,6R)-2-(4-nitrophenoxy)-3,5-diphosphonooxy-6-(phosphonooxymethyl)oxan-4-yl] dihydrogen phosphate Traditional Name: [(2S,3R,4S,5R,6R)-2-(4-nitrophenoxy)-3,5-diphosphonooxy-6-(phosphonooxymethyl)tetrahydropyran-4-yl] dihydrogen phosphate Formula: C12H19NO20P4 MolecularWeight: 621.169004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C12H19NO20P4/c14-13(15)6-1-3-7(4-2-6)29-12-11(33-37(25,26)27)10(32-36(22,23)24)9(31-35(19,20)21)8(30-12)5-28-34(16,17)18/h1-4,8-12H,5H2,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)/t8-,9-,10+,11-,12-/m1/s1