(3R,5S)-Fluvastatin-3,5-acetonide tert-Butyl Ester
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Basic information
- CAS
500731-91-9- Standard SMILES
CC(C)n1c(/C=C/[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)c(-c2ccc(F)cc2)c2ccccc21- InChIKey
QGKLFNQKKUKAQS-KAAYJFPCSA-N- Molecular formula
- C31H38FNO4
- Average molar mass
- 507.6 g/mol
Names & identifiers
- Preferred name
- (3R,5S)-Fluvastatin-3,5-acetonide tert-Butyl Ester
- IUPAC
- tert-butyl 2-[(4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
- English name
- (4R,6S)-6-[(1E)-2-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester
- Molecular formula
- C31H38FNO4
- Molecular weight
- 507.64
Names & synonyms
(3R,5S)-Fluvastatin-3,5-acetonide tert-Butyl Ester500731-91-9(4R,6S)-6-[(1E)-2-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl EsterC31H38FNO4SCHEMBL13625385FF23522(4R,6S)-6-[(1E)-2-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid 1,1-dimethylet hyl estertert-butyl 2-[(4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-isopropyl-indol-2-yl]vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetatetert-butyl 2-[(4R,6S)-6-[(E)-2-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetateFluvastatin Impurity 16tert-butyl 2-((4R,6S)-6-((E)-2-(3-(4-fluorophenyl)-1-isopropylindol-2-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate1,3-Dioxane-4-acetic acid, 6-[(1E)-2-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]ethenyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6S)-
Database identifiers
- CAS
500731-91-9
Properties
Computed structural propertiesFilling in
- XLogP
- 6.4
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 798
Physicochemical properties
- Melting point
- 139 · 139-142°C
- storage temp.
- Refrigerator
- solubility
- Acetone, Diethyl Ether, Ethyl Acetate
- form
- Solid
- color
- Pale Yellow
Chemistry & industry
Applications
UsesAn intermediate for the preparation of (3R,5S)-Fluvastatin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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