- 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
- 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
- 404.54
- CAS
- 75330-75-5
- 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
- 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»]]-
- 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
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8225 | Relay (1.0) Calculated Property | |
| ΔfG° | -313.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1058.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) 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 |
| Pc | 1222.55 | kPa | Joback Calculated Property |
| Tboil | 694.97 | K | Relay (1.0) Calculated Property |
| Tc | 951.68 | K | Relay (1.0) Calculated Property |
| Tfus | 452.15 | K | Solubility of Lovastatin in Acetone + Water Solvent Mixtures |
| Vc | 1.167 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1234.29; 1279.86] | J/mol×K | [1046.05; 1282.23] |
|
| Cp,gas | 1234.29 | J/mol×K | 1046.05 | Joback Calculated Property |
| Cp,gas | 1247.72 | J/mol×K | 1085.41 | Joback Calculated Property |
| Cp,gas | 1258.79 | J/mol×K | 1124.78 | Joback Calculated Property |
| Cp,gas | 1267.52 | J/mol×K | 1164.14 | Joback Calculated Property |
| Cp,gas | 1273.93 | J/mol×K | 1203.50 | Joback Calculated Property |
| Cp,gas | 1278.03 | J/mol×K | 1242.86 | Joback Calculated Property |
| Cp,gas | 1279.86 | J/mol×K | 1282.23 | Joback Calculated Property |
| 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 |
Similar Compounds
Find more compounds similar to Lovastatin.
Mixtures
- Acetone + Water + Lovastatin
- Acetone + Lovastatin
- Methyl Alcohol + Lovastatin
- Ethanol + Lovastatin
- Ethyl Acetate + Lovastatin
- Acetic acid, butyl ester + Lovastatin
- Carbon dioxide + Methylene chloride + Lovastatin
- Acetic acid, methyl ester + Lovastatin
- n-Propyl acetate + Lovastatin
- Isopropyl acetate + Lovastatin
- Isobutyl acetate + Lovastatin
- sec-Butyl acetate + Lovastatin
- Acetic acid, 1,1-dimethylethyl ester + Lovastatin
- 2-Butanone + Lovastatin
Sources
- Cheméo Relay (1.0)
- 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.