Found 1 result

Search term: 123852-10-8 (Found by approved synonym)
ChemSpider 2D Image | (1S,3R,4S,4aS,7S,8S,8aS)-4-Chloro-8-{2-[(2R,4R)-4-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-4a-hydroxy-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl 2,2- dimethylbutanoate | C31H53ClO6Si

(1S,3R,4S,4aS,7S,8S,8aS)-4-Chloro-8-{2-[(2R,4R)-4-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-4a-hydroxy-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl 2,2- dimethylbutanoate

  • Molecular FormulaC31H53ClO6Si
  • Average mass585.287 Da
  • Monoisotopic mass584.330017 Da
  • ChemSpider ID8546539

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,3R,4S,4aS,7S,8S,8aS)-4-Chlor-8-{2-[(2R,4R)-4-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-4a-hydroxy-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalinyl-2,2-d imethylbutanoat [German] [ACD/IUPAC Name]
(1S,3R,4S,4aS,7S,8S,8aS)-4-Chloro-8-{2-[(2R,4R)-4-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-4a-hydroxy-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl 2,2- dimethylbutanoate [ACD/IUPAC Name]
123852-10-8 [RN]
2,2-Diméthylbutanoate de (1S,3R,4S,4aS,7S,8S,8aS)-4-chloro-8-{2-[(2R,4R)-4-{[diméthyl(2-méthyl-2-propanyl)silyl]oxy}-6-oxotétrahydro-2H-pyran-2-yl]éthyl}-4a-hydroxy-3,7-diméthyl-1,2,3,4,4a,7,8,8a-octa hydro-1-naphtalényle [French] [ACD/IUPAC Name]
Butanoic acid, 2,2-dimethyl-, (1S,3R,4S,4aS,7S,8S,8aS)-4-chloro-8-[2-[(2R,4R)-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,4,4a,7,8,8a-octahydro-4a-hydroxy-3,7- dimethyl-1-naphthalenyl ester [ACD/Index Name]
[(1S,3R,4S,4aS,7S,8S,8aS)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-4-chloro-4a-hydroxy-3,7-dimethyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate
1217725-73-9 [RN]
4-tert-Butyldimethylsilyl-5???-chloro-4a???-hydroxy Simvastatin
4-tert-Butyldimethylsilyl-5’-chloro-4a’-hydroxy Simvastatin
4-tert-Butyldimethylsilyl-5'-chloro-4a'-hydroxy Simvastatin
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 618.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.1 mmHg at 25°C
    Enthalpy of Vaporization: 105.2±6.0 kJ/mol
    Flash Point: 328.1±31.5 °C
    Index of Refraction: 1.510
    Molar Refractivity: 159.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 6.56
    ACD/LogD (pH 5.5): 6.34
    ACD/BCF (pH 5.5): 38411.24
    ACD/KOC (pH 5.5): 66548.57
    ACD/LogD (pH 7.4): 6.34
    ACD/BCF (pH 7.4): 38411.12
    ACD/KOC (pH 7.4): 66548.35
    Polar Surface Area: 82 Å2
    Polarizability: 63.3±0.5 10-24cm3
    Surface Tension: 38.6±5.0 dyne/cm
    Molar Volume: 533.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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