Basic information
- Standard SMILES
C=C1CC23CC1(O)CCC2C1(CO)CCCC(C)(C(=O)O)C1C3C(=O)O- InChIKey
AXEUUXHMKSPQAI-UHFFFAOYSA-N- Molecular formula
- C20H28O6
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.18858862
Names & identifiers
- Preferred name
- 12-Hydroxy-8-(hydroxymethyl)-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
- IUPAC
- 12-hydroxy-8-(hydroxymethyl)-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 702
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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