Homohalichondrin B 26-diol
Basic information
- Standard SMILES
C=C1C[C@@H]2CC[C@@]34CC5O[C@H]6C(O[C@H]7CC[C@H](CC(=O)O[C@@H]8[C@@H](C)[C@@H]9O[C@@H]%10C[C@]%11(C[C@@H]%12O[C@]%13(C[C@H](C)[C@@H]%14O[C@@H]%15CC(C(O)CO)O[C@@H]%15C[C@@H]%14O%13)C[C@H](C)[C@@H]%12O%11)O[C@@H]%10C[C@@H]9O[C@H]8CC8O[C@@H](CC[C@@H]1O2)C[C@@H](C)C8(O)CO)O[C@@H]7[C@@H]6O3)[C@H]5O4- InChIKey
ACHMYBPPMAJJMF-QJKUACSYSA-N- Molecular formula
- C61H88O21
- Average molar mass
- 1,157.3 g/mol
- Monoisotopic mass
- 1,156.58180981
Names & identifiers
- Preferred name
- Homohalichondrin B 26-diol
Names & synonyms
Homohalichondrin B 26-diolNSC700373NSC-700373NCI60_036033
Database identifiers
- PubChem CID
- 395624
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 246 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 3
- Heavy atoms
- 82
- Formal charge
- 0
- Complexity
- 2,440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…