Basic information
- CAS
95983-81-6- Standard SMILES
O.O.O=c1ccc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1- InChIKey
CFLAANMISLMCNS-CPOJNIPNSA-N- Molecular formula
- C15H20O11
- Average molar mass
- 376.31 g/mol
- Monoisotopic mass
- 376.10056145
Names & identifiers
- Preferred name
- Cichoriin dihydrate
- IUPAC
- 6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;dihydrate
Names & synonyms
Cichoriin dihydrateUNII-9SWX96E2C19SWX96E2C195983-81-6DTXSID302420572H-1-Benzopyran-2-one, 7-(beta-D-glucopyranosyloxy)-6-hydroxy-, dihydrate2H-1-BENZOPYRAN-2-ONE, 7-(.BETA.-D-GLUCOPYRANOSYLOXY)-6-HYDROXY-, DIHYDRATERefChem:126097DTXCID30164548Q272731146-Hydroxy-2-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranoside--water (1/2)
Database identifiers
- CAS
95983-81-6- PubChem CID
- 71587362
- DTXSID
DTXSID30242057- UNII
- 9SWX96E2C1
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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