Basic information
- CAS
808196-23-8- Standard SMILES
O=C(O[C@H]1Cc2cc(O)ccc2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1- InChIKey
YYKMJKVVECFMCQ-UXHICEINSA-N- Molecular formula
- C24H20O11
- Average molar mass
- 484.4 g/mol
- Monoisotopic mass
- 484.10056145
Names & identifiers
- Preferred name
- Enw5F6BK8Q
- IUPAC
- [(2R,3S)-6-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 3,4,5-trihydroxybenzoate
Names & synonyms
ENW5F6BK8QGTP5GTP-5UNII-ENW5F6BK8Q808196-23-8((2R,3S)-6-Hydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl) 3,4,5-trihydroxybenzoateBenzoic acid, 3,4,5-trihydroxy-, (2R,3S)-1,2,3,4-tetrahydro-6-hydroxy-2,3-naphthalenediyl ester, rel-SCHEMBL14194896
Database identifiers
- CAS
808196-23-8- PubChem CID
- 10074047
- UNII
- ENW5F6BK8Q
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 738
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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