Basic information
- CAS
6330-02-5- Standard SMILES
O=C(O)C1C2CCC(O2)C1C(=O)Nc1cccc(NC(=O)C2C3CCC(O3)C2C(=O)O)n1- InChIKey
XFCUSIUYUXARKQ-UHFFFAOYSA-N- Molecular formula
- C21H23N3O8
- Average molar mass
- 445.4 g/mol
- Monoisotopic mass
- 445.1485147
Names & identifiers
- Preferred name
- 3,3'-(Pyridine-2,6-diyldicarbamoyl)bis(7-oxabicyclo[2.2.1]heptane-2-carboxylic acid)
- IUPAC
- 3-[[6-[(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)amino]-2-pyridinyl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Names & synonyms
6330-02-5NSC471163,3'-(pyridine-2,6-diyldicarbamoyl)bis(7-oxabicyclo[2.2.1]heptane-2-carboxylic acid)DTXSID30286734NSC-471163,3'-(Pyridine-2,6-diyldicarbamoyl)di(7-oxabicyclo[2.2.1]heptane-2-carboxylic acid)
Database identifiers
- CAS
6330-02-5- PubChem CID
- 240682
- DTXSID
DTXSID30286734
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 757
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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