Purity > 97%
| Canonical Smiles | C(C1C(C(C(=O)O1)O)O)O |
|---|---|
| IUPAC Name | (3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one |
| InChIKey | CUOKHACJLGPRHD-UZBSEBFBSA-N |
| INCHI | 1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3+,4+/m1/s1 |
| Isomeric SMILES | C([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O |
| Molecular Weight | 148.11 |
| Reaxy-Rn | 25849247 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25849247&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Monosaccharides |
| Direct Parent | Pentoses |
| Alternative Parents | Gamma butyrolactones Oxolanes Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pentose monosaccharide - Gamma butyrolactone - Oxolane - Carboxylic acid ester - Lactone - Secondary alcohol - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Alcohol - Primary alcohol - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 148.110 g/mol |
|---|---|
| XLogP3 | -1.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 148.037 Da |
| Monoisotopic Mass | 148.037 Da |
| Topological Polar Surface Area | 87.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 145.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
