N-acetyl-7-O-acetylneuraminic acid

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IUPAC Name :(2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-1-acetyloxy-2,3-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
InChI :InChI=1/C13H21NO10/c1-5(16)14-9-7(18)3-13(22,12(20)21)24-11(9)10(8(19)4-15)23-6(2)17/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9+,10+,11+,13-/m0/s1
Std.InChI: InChI=1S/C13H21NO10/c1-5(16)14-9-7(18)3-13(22,12(20)21)24-11(9)10(8(19)4-15)23-6(2)17/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9+,10+,11+,13-/m0/s1
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InChIKey :DUOKWMWKFGDUDQ-GRRZBWEEBU
Std.InChIKey: DUOKWMWKFGDUDQ-GRRZBWEESA-N
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SMILES :CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)OC(=O)C)(C(=O)O)O)O
Molar Refractivity :72.71 ± 0.5 cm3 (est)
Parachor :604.7 ± 8.0 cm3 (est)
Index of Refraction :1.598 ± 0.05 (est)
Surface Tension :65.0 ± 7.0 dyne/cm (est)
Density :1.64 ± 0.1 g/cm3 (est)
Polarizability :28.82 ± 0.5 10-24cm3 (est)