≥99 atom% 13C for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C(C(CO)O)O |
|---|---|
| IUPAC Name | (1,3-13C2)propane-1,2,3-triol |
| InChIKey | PEDCQBHIVMGVHV-ZDOIIHCHSA-N |
| INCHI | 1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1+1,2+1 |
| Isomeric SMILES | [13CH2](C([13CH2]O)O)O |
| Molecular Weight | 94.08 |
| Reaxy-Rn | 4951405 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4951405&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sugar alcohols |
| Alternative Parents | Secondary alcohols 1,2-diols Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Sugar alcohol - Secondary alcohol - 1,2-diol - Polyol - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group. |
| External Descriptors | Not available |
| Refractive Index | n20/D 1.474 (lit.) |
|---|---|
| Flash Point(°F) | 320.0 °F - closed cup |
| Flash Point(°C) | 160 °C - closed cup |
| Boil Point(°C) | 182℃ (lit.) |
| Melt Point(°C) | 20℃ (lit.) |
| Molecular Weight | 94.080 g/mol |
| XLogP3 | -1.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 94.0541 Da |
| Monoisotopic Mass | 94.0541 Da |
| Topological Polar Surface Area | 60.700 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 25.200 |
| Isotope Atom Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
