Found 704 results

Search term: MF = 'C_{32}H_{40}N_{2}O_{4}'
ChemSpider 2D Image | 3-{2-[(2S,10R)-3,15-Diazatetracyclo[7.7.1.0~2,7~.0~10,15~]heptadec-7-en-3-yl]-2-oxoethyl}-4,8,8-trimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one | C32H40N2O4

3-{2-[(2S,10R)-3,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-2-oxoethyl}-4,8,8-trimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one

  • Molecular FormulaC32H40N2O4
  • Average mass516.671 Da
  • Monoisotopic mass516.298828 Da
  • ChemSpider ID22883719

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2H,6H-Benzo[1,2-b:5,4-b']dipyran-2-one, 3-[2-[(6aR,13aS)-3,4,6,6a,7,9,10,12,13,13a-decahydro-6,13-methano-2H-dipyrido[1,2-a:3',2'-e]azocin-1(8H)-yl]-2-oxoethyl]-7,8-dihydro-4,8,8-trimethyl- [ACD/Index Name]
3-{2-[(2S,10R)-3,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-2-oxoethyl}-4,8,8-trimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-on [German] [ACD/IUPAC Name]
3-{2-[(2S,10R)-3,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-2-oxoethyl}-4,8,8-trimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one [ACD/IUPAC Name]
3-{2-[(2S,10R)-3,15-Diazatétracyclo[7.7.1.02,7.010,15]heptadéc-7-én-3-yl]-2-oxoéthyl}-4,8,8-triméthyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromén-2-one [French] [ACD/IUPAC Name]
3-(2-((6aR,13S,13aS)-2,3,4,6,6a,7,8,9,10,12,13,13a-dodecahydro-1H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1-yl)-2-oxoethyl)-4,8,8-trimethyl-7,8-dihydropyrano[3,2-g]chromen-2(6H)-one
956997-35-6 [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: 697.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.1±3.0 kJ/mol
    Flash Point: 375.7±31.5 °C
    Index of Refraction: 1.634
    Molar Refractivity: 145.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 2
    ACD/LogP: 6.98
    ACD/LogD (pH 5.5): 3.58
    ACD/BCF (pH 5.5): 57.91
    ACD/KOC (pH 5.5): 86.76
    ACD/LogD (pH 7.4): 4.60
    ACD/BCF (pH 7.4): 604.88
    ACD/KOC (pH 7.4): 906.22
    Polar Surface Area: 59 Å2
    Polarizability: 57.6±0.5 10-24cm3
    Surface Tension: 57.5±5.0 dyne/cm
    Molar Volume: 406.4±5.0 cm3

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