4-(Hydroxymethyl)oxolane-2,3,4-triol
PubChem CID: 4479683
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| Compound Synonyms | 4-(hydroxymethyl)oxolane-2,3,4-triol, (R)-form, Apiose, 9CI, 8CI, SCHEMBL22510768 |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 10.0 |
| Description | Beta-d-apiofuranose is a member of the class of compounds known as pentoses. Pentoses are monosaccharides in which the carbohydrate moiety contains five carbon atoms. Beta-d-apiofuranose is very soluble (in water) and a very weakly acidic compound (based on its pKa). Beta-d-apiofuranose can be found in parsley, which makes beta-d-apiofuranose a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(hydroxymethyl)oxolane-2,3,4-triol |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | -2.2 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C5H10O5 |
| Inchi Key | ASNHGEVAWNWCRQ-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | 3-C-Hydroxymethyl-b-D-erythro-tetrofuranose, beta-D-Apiose, D-Apio-b-D-furanose, 9CI, 3-C-Hydroxymethyltetrose, Apiose, Apiose, 9CI, 8CI, (R)-form, D-Apiose, (R)-Form, Apiose, 9ci, 8ci, b-D-Apiofuranose, Β-D-apiofuranose |
| Compound Name | 4-(Hydroxymethyl)oxolane-2,3,4-triol |
| Kingdom | Organic compounds |
| Exact Mass | 150.053 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 150.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 150.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2 |
| Smiles | C1C(C(C(O1)O)O)(CO)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Pentoses |
- 1. Outgoing r'ship
FOUND_INto/from Petroselinum Crispum (Plant) Rel Props:Source_db:fooddb_chem_all