tris[(2R,3S)-3-(1H-imidazol-5-yl)-2,3-bis(oxidanyl)propyl] phosphate

Systemtic Name: tris[(2R,3S)-3-(1H-imidazol-5-yl)-2,3-bis(oxidanyl)propyl] phosphate Openeye Name: tris[(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl] phosphate CAS Name: phosphoric acid tris[(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl] ester IUPAC Name: tris[(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl] phosphate Traditional Name: phosphoric acid tris[(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl] ester Formula: C18H27N6O10P MolecularWeight: 518.414941

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)C(C(COP(=O)(OCC(C(C2=CN=CN2)O)O)OCC(C(C3=CN=CN3)O)O)O)O

Isomeric SMILES

C1=C(NC=N1)[C@@H]([C@@H](COP(=O)(OC[C@H]([C@H](C2=CN=CN2)O)O)OC[C@H]([C@H](C3=CN=CN3)O)O)O)O

InChI

InChI=1S/C18H27N6O10P/c25-13(16(28)10-1-19-7-22-10)4-32-35(31,33-5-14(26)17(29)11-2-20-8-23-11)34-6-15(27)18(30)12-3-21-9-24-12/h1-3,7-9,13-18,25-30H,4-6H2,(H,19,22)(H,20,23)(H,21,24)/t13-,14-,15-,16+,17+,18+/m1/s1