Piscidic Acid
Basic information
- CAS
35388-57-9- Standard SMILES
O=C(O)[C@@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O- InChIKey
TUODPMGCCJSJRH-LDYMZIIASA-N- Molecular formula
- C11H12O7
- Average molar mass
- 256.21 g/mol
- Monoisotopic mass
- 256.05830272
Overview
active constituent for chronic bronchitis isolated from root of Chuan-Shan-Long plant; RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- Piscidic Acid
- IUPAC
- (2R,3S)-2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
- English name
- Piscidic Acid
- Molecular formula
- C11H12O7
- Molecular weight
- 256.21
Names & synonyms
35388-57-9Aquacacteen(+)-Piscidic acid(p-Hydroxybenzyl)tartaric acid(+)-(2S,3R)-Piscidic acidButanedioic acid, 2,3-dihydroxy-2-((4-hydroxyphenyl)methyl)-, (2R,3S)-511BQ884F7(2R,3S)-2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acidButanedioic acid, 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]-, (2R,3S)-(2R,3S)-2,3-dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acidRefChem:174580(2S,3R)-2,3-dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid
Show more names
Phloroglucinol Impurity 209-13C6
Piscidic AcidPiscidic acid [MI]UNII-511BQ884F7C11H12O7(2R,3S)-2,3-Dihydroxy-2-(4-hydroxybenzyl)succinic AcidSCHEMBL29393497Q27260844
Database identifiers
- CAS
35388-57-9- PubChem CID
- 10038020
- ChEMBL
CHEMBL3039078- UNII
- 511BQ884F7
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 186 · 186-187°
- alpha
- 20 · D20 +41.02° (c = 2.65)
- Boiling point
- 519.4 · 519.4±50.0 °C(Predicted)
- Density
- 1.654 · 1.654±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 3.09 · 3.09±0.13(Predicted)
- Major Application
- food and beveragespharmaceutical
- FDA UNII
- 511 BQ884F7 · 511BQ884F7
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usesfood and beveragespharmaceutical
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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