1.0 2016-09-30 22:46:33 UTC 2020-04-22 15:08:22 UTC BMDB0001481 BMDB01481 N-Sulfo-D-glucosamine N-SulphO-D-glucosamine N-[(2R,3R,4R,5S,6R)-2,4,5-Trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamate N-[(2R,3R,4R,5S,6R)-2,4,5-Trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulphamate N-[(2R,3R,4R,5S,6R)-2,4,5-Trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulphamic acid C6H13NO8S 259.234 259.036187087 N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid 909257-48-3 OC[C@H]1O[C@@H](O)[C@H](NS(O)(=O)=O)[C@@H](O)[C@@H]1O InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6-/m1/s1 PRDZVHCOEWJPOB-QZABAPFNSA-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. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Hexoses Hemiacetals Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sulfuric acid monoamides Alcohol Aliphatic heteromonocyclic compound Hemiacetal Hexose monosaccharide Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic sulfuric acid or derivatives Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sulfuric acid monoamide Aliphatic heteromonocyclic compounds Solid logp -2.30 ALOGPS logs -0.44 ALOGPS logp -4.9 ChemAxon pka_strongest_acidic -1.3 ChemAxon pka_strongest_basic -3 ChemAxon iupac N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid ChemAxon average_mass 259.234 ChemAxon mono_mass 259.036187087 ChemAxon smiles OC[C@H]1O[C@@H](O)[C@H](NS(O)(=O)=O)[C@@H](O)[C@@H]1O ChemAxon formula C6H13NO8S ChemAxon inchi InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6-/m1/s1 ChemAxon inchikey PRDZVHCOEWJPOB-QZABAPFNSA-N ChemAxon polar_surface_area 156.55 ChemAxon refractivity 47.86 ChemAxon polarizability 22.08 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 18312 Specdb::CMs 38089 Specdb::CMs 132154 Specdb::CMs 139888 Specdb::MsMs 306604 Specdb::MsMs 306605 Specdb::MsMs 306606 Specdb::MsMs 350305 Specdb::MsMs 350306 Specdb::MsMs 350307 Specdb::MsMs 2690687 Specdb::MsMs 2690688 Specdb::MsMs 2690689 Specdb::MsMs 2988365 Specdb::MsMs 2988366 Specdb::MsMs 2988367 Specdb::NmrOneD 147820 Specdb::NmrOneD 147821 Specdb::NmrOneD 147822 Specdb::NmrOneD 147823 Specdb::NmrOneD 147824 Specdb::NmrOneD 147825 Specdb::NmrOneD 147826 Specdb::NmrOneD 147827 Specdb::NmrOneD 147828 Specdb::NmrOneD 147829 Specdb::NmrOneD 147830 Specdb::NmrOneD 147831 Specdb::NmrOneD 147832 Specdb::NmrOneD 147833 Specdb::NmrOneD 147834 Specdb::NmrOneD 147835 Specdb::NmrOneD 147836 Specdb::NmrOneD 147837 Specdb::NmrOneD 147838 Specdb::NmrOneD 147839 C01075 FDB022646 388505 439388 16702 6267