1.0 2026-09-21 16:39:33 UTC 2026-09-21 16:39:33 UTC FDB116747 Marine Sweet N-[(1R,2R,3S,4R)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]acetamide N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide C8H15NO6 221.2078 221.089937217 N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide N acetylglucosamine [H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1 MBLBDJOUHNCFQT-LXGUWJNJSA-N belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Hexoses Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic acyclic compounds Acetamides Aminosaccharides Beta-hydroxy aldehydes Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Polyols Primary alcohols Secondary alcohols Secondary carboxylic acid amides Acetamide Alcohol Aldehyde Aliphatic acyclic compound Amino saccharide Beta-hydroxy aldehyde Carbonyl group Carboxamide group Carboxylic acid derivative Hexose monosaccharide Hydrocarbon derivative Organic nitrogen compound Organic oxide Organonitrogen compound Organopnictogen compound Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide N-acetylglucosamine logp -2.10 ALOGPS logs -0.18 ALOGPS solubility 1.48e+02 g/l ALOGPS logp -3.9 ChemAxon pka_strongest_acidic 11.56 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide ChemAxon average_mass 221.2078 ChemAxon mono_mass 221.089937217 ChemAxon smiles [H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO ChemAxon formula C8H15NO6 ChemAxon inchi InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m0/s1 ChemAxon inchikey MBLBDJOUHNCFQT-LXGUWJNJSA-N ChemAxon polar_surface_area 127.09 ChemAxon refractivity 48.45 ChemAxon polarizability 20.49 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 68328 Specdb::MsMs 68329 Specdb::MsMs 68330 Specdb::MsMs 126333 Specdb::MsMs 126334 Specdb::MsMs 126335 Specdb::MsMs 2428903 Specdb::MsMs 2428904 Specdb::MsMs 2428905 Specdb::MsMs 2506810 Specdb::MsMs 2506811 Specdb::MsMs 2506812 Specdb::CMs 1762 Specdb::CMs 1771 Specdb::CMs 1772 Specdb::CMs 35816 Specdb::CMs 48998 Specdb::CMs 133544 Specdb::CMs 141278 Specdb::NmrOneD 68712 Specdb::NmrOneD 68713 Specdb::NmrOneD 68714 Specdb::NmrOneD 68715 Specdb::NmrOneD 68716 Specdb::NmrOneD 68717 Specdb::NmrOneD 68718 Specdb::NmrOneD 68719 Specdb::NmrOneD 68720 Specdb::NmrOneD 68721 Specdb::NmrOneD 68722 Specdb::NmrOneD 68723 Specdb::NmrOneD 68724 Specdb::NmrOneD 68725 Specdb::NmrOneD 68726 Specdb::NmrOneD 68727 Specdb::NmrOneD 68728 Specdb::NmrOneD 68729 Specdb::NmrOneD 68730 Specdb::NmrOneD 68731