niazicin A

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IUPAC Name :[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[4-[(methoxycarbothioylamino)methyl]phenoxy]-2-methyloxan-3-yl] acetate
InChI :InChI=1/C17H23NO7S/c1-9-15(24-10(2)19)13(20)14(21)16(23-9)25-12-6-4-11(5-7-12)8-18-17(26)22-3/h4-7,9,13-16,20-21H,8H2,1-3H3,(H,18,26)/t9-,13-,14+,15-,16-/m0/s1
Std.InChI: InChI=1S/C17H23NO7S/c1-9-15(24-10(2)19)13(20)14(21)16(23-9)25-12-6-4-11(5-7-12)8-18-17(26)22-3/h4-7,9,13-16,20-21H,8H2,1-3H3,(H,18,26)/t9-,13-,14+,15-,16-/m0/s1
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InChIKey :HMXLIRAHSHWREJ-QOYUQHOEBR
Std.InChIKey: HMXLIRAHSHWREJ-QOYUQHOESA-N
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SMILES :C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CNC(=S)OC)O)O)OC(=O)C
Molar Refractivity :93.73 ± 0.5 cm3 (est)
Parachor :720.8 ± 8.0 cm3 (est)
Index of Refraction :1.589 ± 0.05 (est)
Surface Tension :45.3 ± 7.0 dyne/cm (est)
Density :1.38 ± 0.1 g/cm3 (est)
Polarizability :37.15 ± 0.5 10-24cm3 (est)