1.0 2016-09-30 23:22:22 UTC 2020-04-22 15:17:33 UTC BMDB0006480 BMDB06480 N-Acetyl-D-galactosamine 1-phosphate 2-Acetamido-2-deoxy-1-O-phosphono-D-galactopyranose N-Acetyl-D-galactosamine 1-phosphoric acid N- Acetyl-alpha-D-galactosamine 1-phosphate N- Acetyl-alpha-delta-galactosamine 1-phosphate GalNAc-1-p N-Acetylgalactosamine-1-phosphate C8H16NO9P 301.1877 301.056267627 {[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid [(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OP(O)(O)=O InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8?/m1/s1 FZLJPEPAYPUMMR-KEWYIRBNSA-N belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates N-acyl-alpha-hexosamines Acetamides Carbonyl compounds Hexoses Hydrocarbon derivatives Monoalkyl phosphates Monosaccharide phosphates Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Primary alcohols Secondary alcohols Secondary carboxylic acid amides Acetamide Alcohol Aliphatic heteromonocyclic compound Alkyl phosphate Carbonyl group Carboxamide group Carboxylic acid derivative Hexose monosaccharide Hydrocarbon derivative Monoalkyl phosphate Monosaccharide Monosaccharide phosphate N-acyl-alpha-hexosamine Organic nitrogen compound Organic oxide Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Phosphoric acid ester Primary alcohol Secondary alcohol Secondary carboxylic acid amide Aliphatic heteromonocyclic compounds D-galactosamine 1-phosphate Solid logp -2.00 ALOGPS logs -1.21 ALOGPS logp -3.3 ChemAxon pka_strongest_acidic 1.18 ChemAxon pka_strongest_basic -0.79 ChemAxon iupac {[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid ChemAxon average_mass 301.1877 ChemAxon mono_mass 301.056267627 ChemAxon smiles CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OP(O)(O)=O ChemAxon formula C8H16NO9P ChemAxon inchi InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8?/m1/s1 ChemAxon inchikey FZLJPEPAYPUMMR-KEWYIRBNSA-N ChemAxon polar_surface_area 165.78 ChemAxon refractivity 57.9 ChemAxon polarizability 25.46 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge -2 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 20929 Specdb::CMs 39023 Specdb::CMs 169904 Specdb::MsMs 312589 Specdb::MsMs 312590 Specdb::MsMs 312591 Specdb::MsMs 357880 Specdb::MsMs 357881 Specdb::MsMs 357882 Specdb::MsMs 2304393 Specdb::MsMs 2304394 Specdb::MsMs 2304395 Specdb::MsMs 3061931 Specdb::MsMs 3061932 Specdb::MsMs 3061933 Specdb::NmrOneD 150220 Specdb::NmrOneD 150221 Specdb::NmrOneD 150222 Specdb::NmrOneD 150223 Specdb::NmrOneD 150224 Specdb::NmrOneD 150225 Specdb::NmrOneD 150226 Specdb::NmrOneD 150227 Specdb::NmrOneD 150228 Specdb::NmrOneD 150229 Specdb::NmrOneD 150230 Specdb::NmrOneD 150231 Specdb::NmrOneD 150232 Specdb::NmrOneD 150233 Specdb::NmrOneD 150234 Specdb::NmrOneD 150235 Specdb::NmrOneD 150236 Specdb::NmrOneD 150237 Specdb::NmrOneD 150238 Specdb::NmrOneD 150239 FDB023931 17216370 55404 22833661 2241575