Basic information
- CAS
128626-48-2- Standard SMILES
COC(=O)c1cc(C(O)(c2ccc(O)c(C(=O)OC)c2)c2ccc(O)c(C(=O)OC)c2)ccc1O- InChIKey
PYBWMVOTCMEAJR-UHFFFAOYSA-N- Molecular formula
- C25H22O10
- Average molar mass
- 482.4 g/mol
- Monoisotopic mass
- 482.12129689
Names & identifiers
- Preferred name
- Tris(4-Hydroxy-3-methoxycarbonylphenyl)carbinol
- IUPAC
- methyl 2-hydroxy-5-[hydroxy-bis(4-hydroxy-3-methoxycarbonylphenyl)methyl]benzoate
Names & synonyms
Tris(4OH-3MeOCOPh)COHTris(4-Hydroxy-3-methoxycarbonylphenyl)carbinol128626-48-2Benzoic acid, 3,3',3''-(hydroxymethylidyne)tris(6-hydroxy-, trimethyl esterBenzoic acid, 3,3',3''-(hydroxymethylidyne)tris[6-hydroxy-, trimethyl esterTrimethyl aurintricarboxylateCHEMBL333146SCHEMBL14168030DTXSID60155949NSC622446NSC-622446Trimethyl 3,3',3''-(hydroxymethanetriyl)tris(6-hydroxybenzoate)
Show more names
methyl 2-hydroxy-5-[hydroxy-bis(4-hydroxy-3-methoxycarbonyl-phenyl)methyl]benzoate
Database identifiers
- CAS
128626-48-2- PubChem CID
- 360385
- DTXSID
DTXSID60155949- ChEMBL
CHEMBL333146- Nikkaji
- J360.947B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 671
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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