N-acetyl-4-O-acetylneuraminic acid

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IUPAC Name :(2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
InChI :InChI=1/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/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)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/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 :LVBIMVQYUKOENY-FODKYPIKBI
Std.InChIKey: LVBIMVQYUKOENY-FODKYPIKSA-N
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SMILES :CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1C(C(CO)O)O)(C(=O)O)O)OC(=O)C
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)