Aponucinecarboxylic acid
Basic information
- CAS
6879-60-3- Standard SMILES
O=C1CC2OCC=C3CN4CCC5(C(=O)O)C(N1)C2C3CC45- InChIKey
VDTLYVMJJHDZCX-UHFFFAOYSA-N- Molecular formula
- C16H20N2O4
- Average molar mass
- 304.34 g/mol
- Monoisotopic mass
- 304.14230712
Names & identifiers
- Preferred name
- Aponucinecarboxylic acid
- IUPAC
- 5-oxo-8-oxa-4,13-diazapentacyclo[9.7.0.02,7.03,16.013,17]octadec-10-ene-16-carboxylic acid
Names & synonyms
Aponucinecarboxylic acidNSC131614NSC-131614Hanssen's C16 acidAponucine carboxylic acidCHEMBL2003533DTXSID3013161522-oxo-1,2,3,3a,5,7a,8,8a,10,11,11b,11c-dodecahydro-11ah-7,9-methanooxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-11a-carboxylic acid6879-60-3NCI60_00069811AH-7,9-methanooxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-11a-carboxylic acid, 1,2,3,3a,5,7a,8,8a,10,11,11b,11c-dodecahydro-2-oxo-
Database identifiers
- CAS
6879-60-3- PubChem CID
- 280187
- DTXSID
DTXSID301316152- ChEMBL
CHEMBL2003533
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 603
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…