ChemSpider 2D Image | (3R,7R,8R,8aS)-3-Hydroxy-8-{2-[(2S,4S)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2R)-2-methylbutanoate | C23H34O6

(3R,7R,8R,8aS)-3-Hydroxy-8-{2-[(2S,4S)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2R)-2-methylbutanoate

  • Molecular FormulaC23H34O6
  • Average mass406.513 Da
  • Monoisotopic mass406.235535 Da
  • ChemSpider ID71116920

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2R)-2-Méthylbutanoate de (3R,7R,8R,8aS)-3-hydroxy-8-{2-[(2S,4S)-4-hydroxy-6-oxotétrahydro-2H-pyran-2-yl]éthyl}-7-méthyl-1,2,3,7,8,8a-hexahydro-1-naphtalényle [French] [ACD/IUPAC Name]
(3R,7R,8R,8aS)-3-Hydroxy-8-{2-[(2S,4S)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2R)-2-methylbutanoate [ACD/IUPAC Name]
(3R,7R,8R,8aS)-3-Hydroxy-8-{2-[(2S,4S)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydro-1-naphthalinyl-(2R)-2-methylbutanoat [German] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, (3R,7R,8R,8aS)-1,2,3,7,8,8a-hexahydro-3-hydroxy-7-methyl-8-[2-[(2S,4S)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2R)- [ACD/Index Name]
85956-22-5 [RN]
Pravastatin Lactone
Pravastatin lactone|R 414

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

Density: 1.2±0.1 g/cm3
Boiling Point: 590.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.1±6.0 kJ/mol
Flash Point: 199.5±23.6 °C
Index of Refraction: 1.548
Molar Refractivity: 108.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.38
ACD/KOC (pH 5.5): 542.49
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.38
ACD/KOC (pH 7.4): 542.49
Polar Surface Area: 93 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 341.8±5.0 cm3

Click to predict properties on the Chemicalize site


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