Beta-D-Xylopyranose
PubChem CID: 125409
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| Compound Synonyms | BETA-D-XYLOPYRANOSE, beta-D-Xylose, beta-D Xylose, 2460-44-8, (2R,3R,4S,5R)-oxane-2,3,4,5-tetrol, UNII-0122W3SP9U, CHEBI:28161, 0122W3SP9U, DTXSID20179348, (2-CYANOETHOXY)-2-(2''-O-1,1''-DIMETHOXYTRITYLOXYETHYLSULFONYL)- ETHOXY-N,N-DIISOPROPYLAMINOPHOS, beta-Xylopyranose, XYP, .beta.-D-Xylopyranose, beta-D-Xyl, 1,4beta-D-xylan, 1,4-beta-D-Xylan, .BETA.-D-XYLOSE, (1,4-beta-D-Xylan)n, Epitope ID:167188, (1->4)-beta-D-xylan, XYLOPYRANOSE, beta-D-, (1->4)-beta-D-xylopyranan, SCHEMBL624301, CHEBI:15447, DTXCID50101839, 9014-63-5, C02096, E82640, Q27103537, (2R,3R,4S,5R)-Tetrahydro-2H-pyran-2,3,4,5-tetraol, WURCS=2.0/1,1,0/(a212h-1b_1-5)/1/ |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Monosaccharides |
| Deep Smiles | O[C@@H]CO[C@H][C@@H][C@H]6O))O))O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Description | β-d-xylopyranose, also known as &beta, -D-xylose, is a member of the class of compounds known as pentoses. Pentoses are monosaccharides in which the carbohydrate moiety contains five carbon atoms. β-d-xylopyranose is very soluble (in water) and a very weakly acidic compound (based on its pKa). β-d-xylopyranose can be found in a number of food items such as colorado pinyon, flaxseed, star anise, and dandelion, which makes β-d-xylopyranose a potential biomarker for the consumption of these food products. |
| Scaffold Graph Node Level | C1CCOCC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 117.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3R,4S,5R)-oxane-2,3,4,5-tetrol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10O5 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Inchi Key | SRBFZHDQGSBBOR-KKQCNMDGSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | d-xylose |
| Esol Class | Highly soluble |
| Functional Groups | CO, CO[C@H](C)O |
| Compound Name | Beta-D-Xylopyranose |
| Exact Mass | 150.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 150.13 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1 |
| Smiles | C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Saccharides |
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