Basic information
- CAS
51112-81-3- Standard SMILES
O=C(O)C1C2C=CC(O2)C1C(=O)O- InChIKey
ROWKCXLLOLDVIO-UHFFFAOYSA-N- Molecular formula
- C8H8O5
- Average molar mass
- 184.15 g/mol
- Monoisotopic mass
- 184.03717335
Overview
used for labeling of the DD-peptidase active-site
Names & identifiers
- Preferred name
- Endoxo-delta(4)-tetrahydrophthalic acid
- IUPAC
- 7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Names & synonyms
ETPA51112-81-3Endoxo-delta(4)-tetrahydrophthalic acidRefChem:1368097-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acidCHEMBL8157Oprea1_816965SCHEMBL10050517-Oxa-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acidBDBM50289213STK290955AKOS003235540
Show more names
AKOS022076493DB-0474817-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, (endo,endo)-
Database identifiers
- CAS
51112-81-3- PubChem CID
- 43154
- ChEMBL
CHEMBL8157- Nikkaji
- J265.536E
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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