ChemSpider 2D Image | (6aR,6bS,9aR,10S)-10-(3,4-Dimethoxybenzoyl)-8-(4-methoxyphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione | C30H26N2O6

(6aR,6bS,9aR,10S)-10-(3,4-Dimethoxybenzoyl)-8-(4-methoxyphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione

  • Molecular FormulaC30H26N2O6
  • Average mass510.537 Da
  • Monoisotopic mass510.179077 Da
  • ChemSpider ID17476862

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6aR,6bS,9aR,10S)-10-(3,4-Dimethoxybenzoyl)-8-(4-methoxyphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]chinolin-7,9(6bH,8H)-dion [German] [ACD/IUPAC Name]
(6aR,6bS,9aR,10S)-10-(3,4-Diméthoxybenzoyl)-8-(4-méthoxyphényl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoléine-7,9(6bH,8H)-dione [French] [ACD/IUPAC Name]
(6aR,6bS,9aR,10S)-10-(3,4-Dimethoxybenzoyl)-8-(4-methoxyphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione [ACD/IUPAC Name]
7H-Pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(8H)-dione, 10-(3,4-dimethoxybenzoyl)-6a,6b,9a,10-tetrahydro-8-(4-methoxyphenyl)-, (6aR,6bS,9aR,10S)- [ACD/Index Name]
(6aR,6bS,9aR,10S)-10-[(3,4-dimethoxyphenyl)carbonyl]-8-(4-methoxyphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
448192-26-5 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 772.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 112.5±3.0 kJ/mol
    Flash Point: 421.2±32.9 °C
    Index of Refraction: 1.689
    Molar Refractivity: 138.7±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 3.66
    ACD/LogD (pH 5.5): 3.77
    ACD/BCF (pH 5.5): 430.25
    ACD/KOC (pH 5.5): 2671.14
    ACD/LogD (pH 7.4): 3.77
    ACD/BCF (pH 7.4): 430.69
    ACD/KOC (pH 7.4): 2673.85
    Polar Surface Area: 85 Å2
    Polarizability: 55.0±0.5 10-24cm3
    Surface Tension: 68.5±5.0 dyne/cm
    Molar Volume: 363.3±5.0 cm3

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