Tribenzyl 2-hydroxypropane-1,2,3-tricarboxylate
Basic information
- CAS
631-25-4- Standard SMILES
O=C(CC(O)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1- InChIKey
VYLZSGQQVHTICN-UHFFFAOYSA-N- Molecular formula
- C27H26O7
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.16785316
Names & identifiers
- Preferred name
- Tribenzyl 2-hydroxypropane-1,2,3-tricarboxylate
- IUPAC
- tribenzyl 2-hydroxypropane-1,2,3-tricarboxylate
Names & synonyms
tribenzyl citratetribenzyl 2-hydroxypropane-1,2,3-tricarboxylate631-25-4MLS002637614CITRIC ACID, TRIBENZYL ESTERNSC2187SCHEMBL1231975CHEMBL1724350DTXSID70277388HMS3091P09NSC-2187AKOS003404805
Show more names
SMR001547141
Database identifiers
- CAS
631-25-4- PubChem CID
- 220016
- DTXSID
DTXSID70277388- ChEMBL
CHEMBL1724350- Nikkaji
- J136.462F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 607
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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