D-Galactosamine
PubChem CID: 24154
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| Compound Synonyms | D-Galactosamine, GALACTOSAMINE, 2-Amino-2-deoxy-D-galactopyranose, D-GalN, galn, 2-Amino-2-deoxy-D-galactose, 2-amino-2-deoxy-galactose, 2-Deoxy-2-Amino-Galactose, 2-deoxy-2-amino-d-galactose, 2-Amino-2-Deoxy-Galactopyranose, 2-Deoxy-2-Amino-Galactopyranose, 2-amino-2-deoxy-galactopyranoside, 2-Deoxy-2-Amino-Galactopyranoside, 2-Deoxy-2-Amino-D-Galactopyranose, 2-amino-2-deoxy-d-galactopyranoside, 2-Deoxy-2-Amino-D-Galactopyranoside, 90-76-6, Chondrosamine, D-Chondrosamine, D-2-Amino-2-deoxygalactose, (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol, Galactopyranose, 2-amino-2-deoxy-, D-, CHEBI:60312, D-Galactopyranose, 2-amino-2-deoxy-, (3R,4R,5R,6R)-3-Amino-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol, DTXSID7043871, D-Galactosamine HCl, D-2-Galactosamine, galactosamines, GalNH2, SCHEMBL28731, CHEMBL3304228, DTXCID5023871, CHEBI:24156, MSWZFWKMSRAUBD-GASJEMHNSA-N, DB-230173, C02262, Q375145 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Aminosugars |
| Deep Smiles | OC[C@H]OCO)[C@@H][C@H][C@H]6O))O))N |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Description | D-galactosamine, also known as D-chondrosamine or 2-amino-2-deoxy-D-galactose, is a member of the class of compounds known as hexoses. Hexoses are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. D-galactosamine is soluble (in water) and a very weakly acidic compound (based on its pKa). D-galactosamine can be found in a number of food items such as pepper (c. annuum), orange bell pepper, green bell pepper, and yellow bell pepper, which makes D-galactosamine a potential biomarker for the consumption of these food products. D-galactosamine may be a unique E.coli metabolite. D-galactosamine is a hexosamine derived from galactose with the molecular formula C6H13NO5. This amino sugar is a constituent of some glycoprotein hormones such as follicle-stimulating hormone (FSH) and luteinizing hormone (LH). Other sugar constituents of FSH and LH include glucosamine, galactose and glucose . |
| Scaffold Graph Node Level | C1CCOCC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H13NO5 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Inchi Key | MSWZFWKMSRAUBD-GASJEMHNSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-Amino-2-deoxy-D-galactopyranose, 2-Amino-2-deoxy-D-galactose, Chondrosamine, D-2-Amino-2-deoxygalactose, D-chondrosamine, D-Galactopyranose, 2-amino-2-deoxy-, D-galactosamine, D-Galactose, 2-amino-2-deoxy-, Galactopyranose, 2-amino-2-deoxy-, D-, Galactose, 2-amino-2-deoxy-, D-, galactosamine |
| Esol Class | Highly soluble |
| Functional Groups | CN, CO, COC(C)O |
| Compound Name | D-Galactosamine |
| Exact Mass | 179.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 179.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 179.17 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6?/m1/s1 |
| Smiles | C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)N)O)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Aminosugars and aminoglycosides |
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