Found 704 results

Search term: MF = 'C_{32}H_{40}N_{2}O_{4}'
ChemSpider 2D Image | (1aR,2S,5aR,6aR,9aR,9bS)-9-({4-[Hydroxy(diphenyl)methyl]-1-piperazinyl}methyl)-2,5a-dimethyloctahydro-2H-oxireno[4,4a]naphtho[2,3-b]furan-8(9H)-one | C32H40N2O4

(1aR,2S,5aR,6aR,9aR,9bS)-9-({4-[Hydroxy(diphenyl)methyl]-1-piperazinyl}methyl)-2,5a-dimethyloctahydro-2H-oxireno[4,4a]naphtho[2,3-b]furan-8(9H)-one

  • Molecular FormulaC32H40N2O4
  • Average mass516.671 Da
  • Monoisotopic mass516.298828 Da
  • ChemSpider ID17462377

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1aR,2S,5aR,6aR,9aR,9bS)-9-({4-[Hydroxy(diphenyl)methyl]-1-piperazinyl}methyl)-2,5a-dimethyloctahydro-2H-oxireno[4,4a]naphtho[2,3-b]furan-8(9H)-on [German] [ACD/IUPAC Name]
(1aR,2S,5aR,6aR,9aR,9bS)-9-({4-[Hydroxy(diphenyl)methyl]-1-piperazinyl}methyl)-2,5a-dimethyloctahydro-2H-oxireno[4,4a]naphtho[2,3-b]furan-8(9H)-one [ACD/IUPAC Name]
(1aR,2S,5aR,6aR,9aR,9bS)-9-({4-[Hydroxy(diphényl)méthyl]-1-pipérazinyl}méthyl)-2,5a-diméthyloctahydro-2H-oxiréno[4,4a]naphto[2,3-b]furan-8(9H)-one [French] [ACD/IUPAC Name]
2H-Oxireno[4,4a]naphtho[2,3-b]furan-8(9H)-one, octahydro-9-[[4-(hydroxydiphenylmethyl)-1-piperazinyl]methyl]-2,5a-dimethyl-, (1aR,2S,5aR,6aR,9aR,9bS)- [ACD/Index Name]
(1aR,2S,5aR,6aR,9aR,9bS)-9-((4-(hydroxydiphenylmethyl)piperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
957021-13-5 [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: 672.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.7±3.0 kJ/mol
    Flash Point: 360.3±31.5 °C
    Index of Refraction: 1.646
    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: 3.90
    ACD/LogD (pH 5.5): 2.76
    ACD/BCF (pH 5.5): 40.16
    ACD/KOC (pH 5.5): 236.37
    ACD/LogD (pH 7.4): 3.82
    ACD/BCF (pH 7.4): 451.19
    ACD/KOC (pH 7.4): 2655.54
    Polar Surface Area: 66 Å2
    Polarizability: 58.1±0.5 10-24cm3
    Surface Tension: 60.2±5.0 dyne/cm
    Molar Volume: 404.1±5.0 cm3

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