- InChI
- InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
- InChI Key
- PCZOHLXUXFIOCF-UHFFFAOYSA-N
- Formula
- C24H36O5
- SMILES
-
CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)
C(CCC3CC(O)CC(=O)O3)C21 - Molecular Weight1
- 404.55
- Other Names
-
- (S)-2-Methylbutyric acid, 8-ester with (4R,6R)-6-[2-[(1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl]ethyl]tetrahydro-4-hydroxy-2H-pyran-2-one
- 2-Methylbutanoic acid, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester (lovastatin)
- 6«alpha»-Methylcompactin
- 8-[2-(4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-3,7-dimethyl-(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2-methylbutanoate, (2S)-
- Altocor
- Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (2S)-
- Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1«alpha»(R*),3«alpha»,7«beta»,8«beta»(2S*,4S*),8a«beta»]]-
- Lovalip
- MK-803
- MSD 803
- Mevacor
- Mevinacor
- Mevinolin
- Mevlor
- Monacolin K
- Sivlor
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 57.46 | kJ/mol | Joback Calculated Property |
| log10WS | [-6.01; -6.00] |
|
|
| log10WS | -6.01 | Aq. Solubility Prediction | |
| log10WS | -6.00 | Estimated Solubility | |
| logPoct/wat | 4.196 | Crippen Calculated Property | |
| McVol | 328.590 | ml/mol | McGowan Calculated Property |
| Tfus | 452.15 | K | Solubility of Lovastatin in Acetone + Water Solvent Mixtures |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [36.53; 43.14] | kJ/mol | [444.30; 445.50] |
|
| ΔfusH | 36.53 | kJ/mol | 444.30 | NIST |
| ΔfusH | 43.14 | kJ/mol | 445.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [463.35; 1202.04] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.72170e+01 | |||
| Coefficient B | 2.34138e+00 | |||
| Coefficient C | -1.24072e-03 | |||
| Coefficient D | 1.88600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 463.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 594.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 711.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 815.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 907.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 987.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1056.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1114.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1163.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1202.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030237; 0.0000931] | Pa×s | [452.15; 843.34] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.33052e+01 | |||
| Coefficient B | 3.39292e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 452.15 | |||
| Temperature range, max. | 843.34 | |||
| η | 0.0030237 | Pa×s | 452.15 | Calculated Property |
| η | 0.0015658 | Pa×s | 495.62 | Calculated Property |
| η | 0.0009016 | Pa×s | 539.08 | Calculated Property |
| η | 0.0005637 | Pa×s | 582.55 | Calculated Property |
| η | 0.0003762 | Pa×s | 626.01 | Calculated Property |
| η | 0.0002646 | Pa×s | 669.48 | Calculated Property |
| η | 0.0001943 | Pa×s | 712.94 | Calculated Property |
| η | 0.0001478 | Pa×s | 756.41 | Calculated Property |
| η | 0.0001158 | Pa×s | 799.87 | Calculated Property |
| η | 0.0000931 | Pa×s | 843.34 | Calculated Property |
Similar Compounds
Find more compounds similar to LOVASTATIN.
Mixtures
- Acetone + LOVASTATIN
- Methyl Alcohol + LOVASTATIN
- Ethanol + LOVASTATIN
- Ethyl Acetate + LOVASTATIN
- Acetic acid, butyl ester + LOVASTATIN
- Acetone + Water + LOVASTATIN
- Carbon dioxide + Methylene chloride + LOVASTATIN
- Acetic acid, methyl ester + LOVASTATIN
- Acetic acid, propyl ester + LOVASTATIN
- Isopropyl acetate + LOVASTATIN
- Acetic acid, 2-methylpropyl ester + LOVASTATIN
- sec-Butyl acetate + LOVASTATIN
- Acetic acid, 1,1-dimethylethyl ester + LOVASTATIN
- 2-Butanone + LOVASTATIN
Sources
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Solubility of Lovastatin in Acetone, Methanol, Ethanol, Ethyl Acetate, and Butyl Acetate between 283 K and 323 K
- Solubility of Simvastatin and Lovastatin in Mixtures of Dichloromethane and Supercritical Carbon Dioxide
- Solubility of Lovastatin in Acetone + Water Solvent Mixtures
- Solubility of Lovastatin in Ethyl Acetate, Propyl Acetate, Isopropyl Acetate, Butyl Acetate, sec-Butyl Acetate, Isobutyl Acetate, tert-Butyl Acetate, and 2-Butanone, between (285 and 313) K
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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