Found 704 results

Search term: MF = 'C_{32}H_{40}N_{2}O_{4}'
ChemSpider 2D Image | (3aR,5R,8aR,9aR)-3-({4-[Hydroxy(diphenyl)methyl]-1-piperazinyl}methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one | C32H40N2O4

(3aR,5R,8aR,9aR)-3-({4-[Hydroxy(diphenyl)methyl]-1-piperazinyl}methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one

  • Molecular FormulaC32H40N2O4
  • Average mass516.671 Da
  • Monoisotopic mass516.298828 Da
  • ChemSpider ID17464055

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(3aR,5R,8aR,9aR)-3-({4-[Hydroxy(diphenyl)methyl]-1-piperazinyl}methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one [ACD/IUPAC Name]
Spiro[naphtho[2,3-b]furan-5(2H),2'-oxiran]-2-one, decahydro-3-[[4-(hydroxydiphenylmethyl)-1-piperazinyl]methyl]-8a-methyl-, (3aR,5R,8aR,9aR)- [ACD/Index Name]
(3aR,5R,8aR,9aR)-3-[[4-[hydroxy(diphenyl)methyl]piperazin-1-yl]methyl]-8a-methylspiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one
956993-91-2 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 679.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.7±3.0 kJ/mol
    Flash Point: 364.5±31.5 °C
    Index of Refraction: 1.647
    Molar Refractivity: 146.7±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 3.04
    ACD/LogD (pH 5.5): 2.20
    ACD/BCF (pH 5.5): 14.54
    ACD/KOC (pH 5.5): 109.29
    ACD/LogD (pH 7.4): 3.31
    ACD/BCF (pH 7.4): 186.18
    ACD/KOC (pH 7.4): 1399.70
    Polar Surface Area: 66 Å2
    Polarizability: 58.2±0.5 10-24cm3
    Surface Tension: 61.0±5.0 dyne/cm
    Molar Volume: 403.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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