Basic information
- CAS
84-24-2- Standard SMILES
CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c1O2- InChIKey
KVTYWHGIZSCFLG-UHFFFAOYSA-N- Molecular formula
- C26H30O8
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 470.19406791
Overview
Physodic acid is a carbonyl compound.
Names & identifiers
- Preferred name
- Physodic Acid
- IUPAC
- 3,9-dihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
- English name
- Physodic acid
- Molecular formula
- C26H30O8
- Molecular weight
- 470.51
Names & synonyms
Physodic acidPhysodalin84-24-2X901BNT6BFNSC-59163,9-dihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acidDTXSID402328833,9-dihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo(b)(1,4)benzodioxepine-2-carboxylic acidRefChem:929234DTXCID70155374NSC-685589CHEMBL171637
Show more names
Faisodic acid3,8-dihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-11H-dibenzo[b,e]-1,4-dioxepin-7-carboxylic acid11H-Dibenzo[B,E][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-
NSC5916NSC6855893,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid3,8-Dihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-11H-dibenzo[b,E][1,4]dioxepine-7-carboxylic acidSMR000386934CCRIS 5524NSC 5916UNII-X901BNT6BF
Database identifiers
- CAS
84-24-2- PubChem CID
- 65751
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 709
Physicochemical properties
- Melting point
- 205 ° · 205°
- Boiling point
- 702 · 702.0±60.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- pka
- 2.62 · 2.62±0.20(Predicted)
- FDA UNII
- 901 BNT6BF · X901BNT6BF
Chemistry & industry
Suppliers3 total
Interbioscreen Ltd.[email protected]
SENNCHEM[email protected]
3B Scientific Corporation[email protected]
Additional notes
DefinitionChEBI: Physodic acid is a carbonyl compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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