3-O-methyl-L-xylose
PubChem CID: 193736
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| Compound Synonyms | 3-O-Methyl-L-xylose, 3-Methylxylose, 36414-45-6, L-Xylose, 3-O-methyl-, 3-O-Methylxylose, (2S,3R,4S)-2,4,5-trihydroxy-3-methoxypentanal, 3-O-Methylpentose, DTXSID40957761, CHEBI:189238 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Description | 2-o-methylxylose is a member of the class of compounds known as pentoses. Pentoses are monosaccharides in which the carbohydrate moiety contains five carbon atoms. 2-o-methylxylose is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-o-methylxylose can be found in date, which makes 2-o-methylxylose a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S,3R,4S)-2,4,5-trihydroxy-3-methoxypentanal |
| Nih Violation | True |
| Class | Organooxygen compounds |
| Xlogp | -2.3 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C6H12O5 |
| Inchi Key | JNAZNWGFTWHNTH-SRQIZXRXSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 3-O-Methylxylose, 3-O-Methyl-L-xylose, 3-Methylxylose |
| Compound Name | 3-O-methyl-L-xylose |
| Kingdom | Organic compounds |
| Exact Mass | 164.068 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 164.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 164.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C6H12O5/c1-11-6(4(9)2-7)5(10)3-8/h2,4-6,8-10H,3H2,1H3/t4-,5+,6+/m1/s1 |
| Smiles | CO[C@H]([C@H](CO)O)[C@@H](C=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Pentoses |
- 1. Outgoing r'ship
FOUND_INto/from Phoenix Dactylifera (Plant) Rel Props:Source_db:fooddb_chem_all