Xylan,Birch
PubChem CID: 50909243
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| Compound Synonyms | Xylan,Birch, bmse010022, (2R,3R,5S,6S)-tetrahydropyran-2,3,4,5,6-pentol |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 11.0 |
| Description | Occurs in all land plants, component of dietary roughage Xylan is a generic term used to describe a wide variety of highly complex polysaccharides that are found in plant cell walls and some algae. Xylans are polysaccharides made from units of xylose (a pentose sugar)., Xylan is one of the foremost anti-nutritional factors in common use feedstuff raw materials. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S,3S,5R,6R)-oxane-2,3,4,5,6-pentol |
| Prediction Hob | 0.0 |
| Class | Organooxygen compounds |
| Xlogp | -3.0 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C5H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HEHIOFQJTRFOKM-ASQQECOQSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.029 |
| Rotatable Bond Count | 0.0 |
| Logd | -2.274 |
| Synonyms | 1,3-Xylan, 2',3'-Cyclic AMP, adenosine 2'3'-cyclic monophosphate, Rosin, wood, Wood rosin |
| Compound Name | Xylan,Birch |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 166.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | 1.4547002000000002 |
| Inchi | InChI=1S/C5H10O6/c6-1-2(7)4(9)11-5(10)3(1)8/h1-10H/t1?,2-,3+,4-,5+ |
| Smiles | [C@H]1([C@H](O[C@H]([C@@H](C1O)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Monosaccharides |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Corylus Avellana (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Juncus Effusus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all