(3S,4S,5R,6S)-3-Amino-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol
PubChem CID: 45933887
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| Compound Synonyms | (3S,4S,5R,6S)-3-Amino-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol, rel-(3S,4S,5R,6S)-3-Amino-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol, 2089580-22-1 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 12.0 |
| Pathway Kegg Map Id | map00520 |
| Description | Present in mucopolysaccharides and in polysaccharides found in bacteria, fungi, higher plants, invertebrates, vertebrates, antibiotics and UDP complexes. Obt. comly. by hydrol. of seashells [CCD] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Enzyme Uniprot Id | P35557, P52790, P52789, P19367, P01375, Q01459, Q96IV0 |
| Iupac Name | (3S,4S,5R,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol |
| Prediction Hob | 1.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -2.8 |
| Superclass | Organooxygen compounds |
| Subclass | Aminosaccharides |
| Molecular Formula | C6H13NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MSWZFWKMSRAUBD-HOWGCPQDSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.01 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | -2.165 |
| Synonyms | (+)-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-deoxy-D-glucose, 2-Amino-2-deoxyglucose, 2-Aminoglucose, 2-Deoxy-2-amino-D-glucose, 2-Deoxy-2-aminoglucose, Chitosamine, Cosamin, D-(+)-Glucosamine, D-Glucosamine, Glucosamine, 9CI,8CI |
| Substituent Name | Glucosamine, Amino sugar, Oxane, Monosaccharide, Secondary alcohol, Polyol, Hemiacetal, 1,2-diol, 1,2-aminoalcohol, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Primary amine, Primary alcohol, Organonitrogen compound, Primary aliphatic amine, Amine, Alcohol, Aliphatic heteromonocyclic compound |
| Compound Name | (3S,4S,5R,6S)-3-Amino-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 179.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 179.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 179.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.3201336000000004 |
| 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?/m0/s1 |
| Smiles | C([C@H]1[C@@H]([C@H]([C@@H](C(O1)O)N)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients