ChemSpider 2D Image | 6'-EXOMETHYLENE LOVASTATIN | C24H34O5

6'-EXOMETHYLENE LOVASTATIN

  • Molecular FormulaC24H34O5
  • Average mass402.524 Da
  • Monoisotopic mass402.240631 Da
  • ChemSpider ID48061719

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-3-methylen-1,2,3,7,8,8a-hexahydro-1-naphthalinyl-(2S)-2-methylbutanoat [German] [ACD/IUPAC Name]
(1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-3-methylene-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2S)-2-methylbutanoate [ACD/IUPAC Name]
(2S)-2-Méthylbutanoate de (1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotétrahydro-2H-pyran-2-yl]éthyl}-7-méthyl-3-méthylène-1,2,3,7,8,8a-hexahydro-1-naphtalényle [French] [ACD/IUPAC Name]
121624-17-7 [RN]
6'-EXOMETHYLENE LOVASTATIN
Butanoic acid, 2-methyl-, (1S,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-7-methyl-3-methylene-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)- [ACD/Index Name]
[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-methylidene-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

48W5FXB9PY [DBID]
UNII:48W5FXB9PY [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 568.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 189.8±23.6 °C
Index of Refraction: 1.539
Molar Refractivity: 111.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 579.70
ACD/KOC (pH 5.5): 3307.53
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 579.70
ACD/KOC (pH 7.4): 3307.53
Polar Surface Area: 73 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 355.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement