Kingiside aglucon
Basic information
- CAS
74848-77-4- Standard SMILES
COC(=O)C1=CO[C@@H](O)[C@@H]2C(C)OC(=O)C[C@H]12- InChIKey
COZKAJSKOQAWLF-LXHDUDQSSA-N- Molecular formula
- C11H14O6
- Average molar mass
- 242.22 g/mol
- Monoisotopic mass
- 242.07903816
Names & identifiers
- Preferred name
- Kingiside aglucon
- IUPAC
- methyl (4aS,8R,8aS)-8-hydroxy-1-methyl-3-oxo-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate
Names & synonyms
NSC611346Kingiside aglucon74848-77-4Kingiside aglyconeDTXSID10326723NSC-6113461H,4-c]pyran-5-carboxylic acid, 4,4a,8,8a-tetrahydro-8-hydroxy-1-methyl-3-oxo-, methyl ester, [1S-(1.alpha.,4a.beta.,8.beta., 8a.beta.)]-Methyl (4aS,8R,8aS)-8-hydroxy-1-methyl-3-oxo-4,4a,8,8a-tetrahydro-1H,3H-pyrano[3,4-c]pyran-5-carboxylate
Database identifiers
- CAS
74848-77-4- PubChem CID
- 356203
- DTXSID
DTXSID10326723
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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