ChemSpider 2D Image | (2S)-1-[{(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R)-2,13-Dimethoxy-3,9,11-trimethyl-12-oxo-3,5,7-tridecatrien-1-yl]-2-hydroxy-3-methyltetrahydro-2H-pyran-2-yl}(oxo)acetyl]-2-piperidinecarboxylic acid | C32H49NO9

(2S)-1-[{(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R)-2,13-Dimethoxy-3,9,11-trimethyl-12-oxo-3,5,7-tridecatrien-1-yl]-2-hydroxy-3-methyltetrahydro-2H-pyran-2-yl}(oxo)acetyl]-2-piperidinecarboxylic acid

  • Molecular FormulaC32H49NO9
  • Average mass591.733 Da
  • Monoisotopic mass591.340759 Da
  • ChemSpider ID48061621

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S)-1-[{(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R)-2,13-Dimethoxy-3,9,11-trimethyl-12-oxo-3,5,7-tridecatrien-1-yl]-2-hydroxy-3-methyltetrahydro-2H-pyran-2-yl}(oxo)acetyl]-2-piperidincarbonsäure [German] [ACD/IUPAC Name]
(2S)-1-[{(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R)-2,13-Dimethoxy-3,9,11-trimethyl-12-oxo-3,5,7-tridecatrien-1-yl]-2-hydroxy-3-methyltetrahydro-2H-pyran-2-yl}(oxo)acetyl]-2-piperidinecarboxylic acid [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[2-[(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R)-2,13-dimethoxy-3,9,11-trimethyl-12-oxo-3,5,7-tridecatrien-1-yl]tetrahydro-2-hydroxy-3-methyl-2H-pyran-2-yl]-1,2-dioxoethyl]-, (2S) - [ACD/Index Name]
Acide (2S)-1-(2-{(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R)-2,13-diméthoxy-3,9,11-triméthyl-12-oxo-3,5,7-tridécatrién-1-yl]-2-hydroxy-3-méthyltétrahydro-2H-pyran-2-yl}-2-oxoacétyl)-2-pipéridinecarboxylique [French] [ACD/IUPAC Name]
(2S)???-1-???[2-???[(2R,???3R,???6S)???-???6-???[(2S,???3E,???5E,???7E,???9S,???11R)???-???2,???13-???Dimethoxy-???3,???9,???11-???trimethyl-???12-???oxo-???3,???5,???7-???tridecatrien-???1-???yl]???tetrahydro-???2-???hydroxy-???3-???methyl-???2H-???pyran-???2-???yl]???-???2-???oxoacetyl]???-???2-???piperidinecarboxylic Acid
(2S)-1-[2-[(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R)-2,13-dimethoxy-3,9,11-trimethyl-12-oxotrideca-3,5,7-trienyl]-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylic acid
(S)-1-(2-((2R,3R,6S)-6-((2S,3E,5E,7E,9S,11R)-2,13-dimethoxy-3,9,11-trimethyl-12-oxotrideca-3,5,7-trien-1-yl)-2-hydroxy-3-methyltetrahydro-2H-pyran-2-yl)-2-oxoacetyl)piperidine-2-carboxylic acid
147438-30-0 [RN]
Everolimus Related Compound 3

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 734.4±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.5 mmHg at 25°C
    Enthalpy of Vaporization: 122.3±6.0 kJ/mol
    Flash Point: 398.0±35.7 °C
    Index of Refraction: 1.522
    Molar Refractivity: 157.6±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 2
    ACD/LogP: 1.90
    ACD/LogD (pH 5.5): 0.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.85
    ACD/LogD (pH 7.4): -1.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 140 Å2
    Polarizability: 62.5±0.5 10-24cm3
    Surface Tension: 44.9±3.0 dyne/cm
    Molar Volume: 516.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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