D-Glucosamine
PubChem CID: 439213
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| Compound Synonyms | glucosamine, D-glucosamine, 2-amino-2-deoxy-D-glucopyranose, 2-Amino-2-deoxy-D-glucose, GlcN, 2-Deoxy-2-amino-D-glucose, D-GlcN, 2-deoxy-2-amino-glucose, 2-Amino-2-deoxy-glucose, 2-amino-2-deoxy-glucopyranose, 2-Deoxy-2-Amino-Glucopyranose, 2-amino-2-deoxy-glucopyranoside, 2-deoxy-2-amino-d-glucopyranose, 2-Deoxy-2-Amino-Glucopyranoside, 2-amino-2-deoxy-d-glucopyranoside, 2-Deoxy-2-Amino-D-Glucopyranoside, chitosamine, Glucosamine free base, Glucosamina, CHEBI:47977, (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol, (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol, 2-amino-2-deoxyglucose, D-Glucosamine, Chitosamine, 90-77-7, 3416-24-8 (free base), Glucosaminum (INN-Latin), Glucosaminum [INN-Latin], Glucosamina (INN-Spanish), Glucosamina [INN-Spanish], glucosamin, Glucosaminum, 2-Aminoglucose, UNII-N08U5BOQ1K, N08U5BOQ1K, D-Glucose, 2-amino-2-deoxy-, HSDB 7469, EN300-57128, Glukosamin, EINECS 222-311-2, D-Glucopyranose, 2-deoxy-2-Amino-, BRN 1724602, GlcNH2, 2-Deoxy-2-aminoglucose, 4-04-00-02017 (Beilstein Handbook Reference), 2 Amino 2 Deoxyglucose, Glucosamine (USAN/INN), Glucosamine [USAN:INN], bmse000247, Epitope ID:151531, SCHEMBL167831, 2-Amino-2-deoxyhexopyranose #, CHEBI:5417, CHEMBL493287, DTXCID203098, CHEBI:17315, BDBM626186, 2-Amino-2-deoxy-D-glucopyranose-, BBL009288, STK801823, AKOS005622471, (+)-2-amino-2-deoxy-D-glucopyranose, DB01296, DB-017621, DB-181941, C00329, D04334, F88954, Q327506, WURCS=2.0/1,1,0/(a2122h-1x_1-5_2*N)/1/, 222-311-2 |
|---|---|
| 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 |
| Scaffold Graph Node Level | C1CCOCC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P35557, P52790, P52789, P19367, P51688, P01375, Q01459, Q96IV0, Q2TB90, O15245, n.a., Q8N539 |
| Iupac Name | (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.8 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H13NO5 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Inchi Key | MSWZFWKMSRAUBD-IVMDWMLBSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 2-Amino-2-deoxy-D-glucose, Chitosamine, D-Glucosamine, (+)-2-Amino-2-deoxy-D-glucopyranose, (3R,4R,5S,6R)-3-Amino-6-(hydroxymethyl)oxane-2,4,5-triol, 2-Amino-2-deoxy-D-glucopyranose, 2-Amino-2-deoxyglucose, 2-Aminoglucose, 2-Deoxy-2-amino-D-glucose, 2-Deoxy-2-aminoglucose, Cosamin, D-(+)-Glucosamine, Dona, Fides ecopharma brand OF glucosamine sulfate, Rottapharm brand OF glucosamine sulfate, Xicil, 2 Amino 2 deoxyglucose, Glucosamine sulfate, Sulfate, glucosamine, Dona S, Opfermann brand OF glucosamine sulfate, Hespercorbin, d-glucosamine, glucosamine, glucosamine (d) |
| Esol Class | Highly soluble |
| Functional Groups | CN, CO, COC(C)O |
| Compound Name | D-Glucosamine |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| 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 |
| Taxonomy Direct Parent | Hexoses |
| Np Classifier Superclass | Aminosugars and aminoglycosides |
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