Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated Ships Normal 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 | C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)CC(C(=O)O)NCP(=O)(O)O |
|---|---|
| IUPAC Name | (2S)-3-dibenzofuran-3-yl-2-(phosphonomethylamino)propanoic acid |
| InChIKey | CRUVAUSVWLATAE-ZDUSSCGKSA-N |
| INCHI | 1S/C16H16NO6P/c18-16(19)13(17-9-24(20,21)22)7-10-5-6-12-11-3-1-2-4-14(11)23-15(12)8-10/h1-6,8,13,17H,7,9H2,(H,18,19)(H2,20,21,22)/t13-/m0/s1 |
| Isomeric SMILES | C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)C[C@@H](C(=O)O)NCP(=O)(O)O |
| Molecular Weight | 349.28 |
| Reaxy-Rn | 24728766 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24728766&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 | Organoheterocyclic compounds |
| Class | Benzofurans |
| Subclass | Dibenzofurans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzofurans |
| Alternative Parents | Alpha amino acids and derivatives Benzenoids Organic phosphonic acids Heteroaromatic compounds Furans Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzofuran - Alpha-amino acid or derivatives - Benzenoid - Furan - Organophosphonic acid - Organophosphonic acid derivative - Heteroaromatic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Oxacycle - Carboxylic acid derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring. |
| External Descriptors | Not available |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Solubility | Solvent:1eq. NaOH, Max Conc. mg/mL: 34.92, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 349.270 g/mol |
| XLogP3 | -0.900 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 349.072 Da |
| Monoisotopic Mass | 349.072 Da |
| Topological Polar Surface Area | 120.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 509.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |