glucoraphanin

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IUPAC Name :[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioate
InChI :InChI=1/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8+/t7-,9-,10+,11-,12+,25?/m1/s1
Std.InChI: InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8+/t7-,9-,10+,11-,12+,25?/m1/s1
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InChIKey :GMMLNKINDDUDCF-RFOBZYEEBD
Std.InChIKey: GMMLNKINDDUDCF-RFOBZYEESA-N
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SMILES :CS(=O)CCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Molar Refractivity :91.55 ± 0.5 cm3 (est)
Parachor :738.0 ± 8.0 cm3 (est)
Index of Refraction :1.672 ± 0.05 (est)
Surface Tension :83.1 ± 7.0 dyne/cm (est)
Density :1.78 ± 0.1 g/cm3 (est)
Polarizability :36.29 ± 0.5 10-24cm3 (est)