ChemSpider 2D Image | (1'S,3R,3'S,7a'S)-1'-(2,5-Dimethoxybenzoyl)-5'',7''-dimethyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione | C32H31N3O5

(1'S,3R,3'S,7a'S)-1'-(2,5-Dimethoxybenzoyl)-5'',7''-dimethyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione

  • Molecular FormulaC32H31N3O5
  • Average mass537.606 Da
  • Monoisotopic mass537.226379 Da
  • ChemSpider ID17470226

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1'S,3R,3'S,7a'S)-1'-(2,5-Dimethoxybenzoyl)-5'',7''-dimethyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dion [German] [ACD/IUPAC Name]
(1'S,3R,3'S,7a'S)-1'-(2,5-Dimethoxybenzoyl)-5'',7''-dimethyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione [ACD/IUPAC Name]
(1'S,3R,3'S,7a'S)-1'-(2,5-Diméthoxybenzoyl)-5'',7''-diméthyl-5',6',7',7a'-tétrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione [French] [ACD/IUPAC Name]
Dispiro[3H-indole-3,2'(3'H)-[1H]pyrrolizine-3',3''-[3H]indole]-2,2''(1''H,1H)-dione, 1'-(2,5-dimethoxybenzoyl)-5',6',7',7'a-tetrahydro-5'',7''-dimethyl-, (1'S,3R,3'S,7a'S)- [ACD/Index Name]
956826-98-5 [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: 753.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.8±3.0 kJ/mol
    Flash Point: 409.4±32.9 °C
    Index of Refraction: 1.695
    Molar Refractivity: 147.8±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 6.91
    ACD/LogD (pH 5.5): 6.14
    ACD/BCF (pH 5.5): 27119.57
    ACD/KOC (pH 5.5): 50912.32
    ACD/LogD (pH 7.4): 6.17
    ACD/BCF (pH 7.4): 28935.50
    ACD/KOC (pH 7.4): 54321.41
    Polar Surface Area: 97 Å2
    Polarizability: 58.6±0.5 10-24cm3
    Surface Tension: 69.6±5.0 dyne/cm
    Molar Volume: 384.6±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement