ChemSpider 2D Image | Aspercolorin | C25H28N4O5

Aspercolorin

  • Molecular FormulaC25H28N4O5
  • Average mass464.514 Da
  • Monoisotopic mass464.205963 Da
  • ChemSpider ID32820044

More details:

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

10-Benzyl-14-methoxy-1,2,3,7,8,10,11,18a-octahydropyrrolo[2,1-c][1,4,8,11]benzotetraazacyclotetradecin-5,9,12,18(6H,17H)-tetron [German] [ACD/IUPAC Name]
10-Benzyl-14-methoxy-1,2,3,7,8,10,11,18a-octahydropyrrolo[2,1-c][1,4,8,11]benzotetraazacyclotetradecine-5,9,12,18(6H,17H)-tetrone [ACD/IUPAC Name]
10-Benzyl-14-méthoxy-1,2,3,7,8,10,11,18a-octahydropyrrolo[2,1-c][1,4,8,11]benzotétraazacyclotétradécine-5,9,12,18(6H,17H)-tétrone [French] [ACD/IUPAC Name]
29123-52-2 [RN]
Aspercolorin
Pyrrolo[2,1-c][1,4,8,11]benzotetraazacyclotetradecine-5,9,12,18(6H,17H)-tetrone, 1,2,3,7,8,10,11,18a-octahydro-14-methoxy-10-(phenylmethyl)- [ACD/Index Name]
1,2,3,5,6,7,8,9,10,11,12,17,18,18a-Tetradecahydro-10-benzyl-14-methoxypyrrolo[1,2-a][1,4,8,11]benzotetraazacyclotetradecine-5,9,12,18-tetrone
14-benzyl-19-methoxy-2,8,12,15-tetrazatricyclo[15.4.0.04,8]henicosa-1(17),18,20-triene-3,9,13,16-tetrone
3148-73-0 [RN]
cyclo(b-alanylprolyl-2-amino-5-methoxybenzoylphenylalanyl)
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 864.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 125.6±3.0 kJ/mol
    Flash Point: 476.3±34.3 °C
    Index of Refraction: 1.637
    Molar Refractivity: 124.6±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.31
    ACD/LogD (pH 5.5): 0.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 31.93
    ACD/LogD (pH 7.4): 0.23
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 31.93
    Polar Surface Area: 117 Å2
    Polarizability: 49.4±0.5 10-24cm3
    Surface Tension: 64.5±5.0 dyne/cm
    Molar Volume: 347.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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