chitobiose

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IUPAC Name :N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
InChI :InChI=1/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15?,16+/m1/s1
Std.InChI: InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15?,16+/m1/s1
InChIKey :CDOJPCSDOXYJJF-CBTAGEKQBM
Std.InChIKey: CDOJPCSDOXYJJF-CBTAGEKQSA-N
SMILES :CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O)O
MDL: MFCD00077715
Molar Refractivity :87.90 ± 0.5 cm3 (est)
Parachor :689.8 ± 8.0 cm3 (est)
Index of Refraction :1.658 ± 0.05 (est)
Surface Tension :70.0 ± 7.0 dyne/cm (est)
Density :1.78 ± 0.1 g/cm3 (est)
Polarizability :34.84 ± 0.5 10-24cm3 (est)