(1S,2S,3S,4S,5R,6R)-3-(phenethylamino)-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol

Systemtic Name: (1S,2S,3S,4S,5R,6R)-3-(phenethylamino)-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol Openeye Name: (1S,2S,3R,4R,5S,6S)-3,4,5-tribenzyloxy-6-(phenethylamino)cyclohexane-1,2-diol CAS Name: (1S,2S,3S,4S,5R,6R)-3-(phenethylamino)-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol IUPAC Name: (1S,2S,3S,4S,5R,6R)-3-(phenethylamino)-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol Traditional Name: (1S,2S,3R,4R,5S,6S)-3,4,5-tribenzoxy-6-(phenethylamino)cyclohexane-1,2-diol Formula: C35H39NO5 MolecularWeight: 553.68786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2C(C(C(C(C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN[C@H]2[C@@H]([C@@H]([C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O)O

InChI

InChI=1S/C35H39NO5/c37-31-30(36-22-21-26-13-5-1-6-14-26)33(39-23-27-15-7-2-8-16-27)35(41-25-29-19-11-4-12-20-29)34(32(31)38)40-24-28-17-9-3-10-18-28/h1-20,30-38H,21-25H2/t30-,31-,32-,33-,34+,35+/m0/s1