ChemSpider 2D Image | Bongkrekic acid ammonium salt | C28H38O7

Bongkrekic acid ammonium salt

  • Molecular FormulaC28H38O7
  • Average mass486.597 Da
  • Monoisotopic mass486.261749 Da
  • ChemSpider ID24603371

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4Z,8E,10E,14Z,18Z,20Z)-20-(Carboxymethyl)-6-methoxy-2,5,17-trimethyl-2,4,8,10,14,18,20-docosaheptaendisäure [German] [ACD/IUPAC Name]
(2E,4Z,8E,10E,14Z,18Z,20Z)-20-(Carboxymethyl)-6-methoxy-2,5,17-trimethyl-2,4,8,10,14,18,20-docosaheptaenedioic acid [ACD/IUPAC Name]
(2E,4Z,8E,10E,14Z,18Z,20Z)-20-(Carboxymethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioic acid
2,4,8,10,14,18,20-Docosaheptaenedioic acid, 20-(carboxymethyl)-6-methoxy-2,5,17-trimethyl-, (2E,4Z,8E,10E,14Z,18Z,20Z)- [ACD/Index Name]
Acide (2E,4Z,8E,10E,14Z,18Z,20Z)-20-(carboxyméthyl)-6-méthoxy-2,5,17-triméthyl-2,4,8,10,14,18,20-docosaheptaènedioïque [French] [ACD/IUPAC Name]
Bongkrekic acid ammonium salt
231-791-2 [EINECS]
231-791-2MFCD01729616
Bongkrekic Acid
Bongkrekic Acid, Triammonium Salt
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 715.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.0 mmHg at 25°C
    Enthalpy of Vaporization: 113.8±6.0 kJ/mol
    Flash Point: 231.0±26.4 °C
    Index of Refraction: 1.545
    Molar Refractivity: 138.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 1
    ACD/LogP: 5.48
    ACD/LogD (pH 5.5): 2.20
    ACD/BCF (pH 5.5): 5.82
    ACD/KOC (pH 5.5): 19.28
    ACD/LogD (pH 7.4): -0.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 121 Å2
    Polarizability: 54.7±0.5 10-24cm3
    Surface Tension: 44.2±3.0 dyne/cm
    Molar Volume: 436.4±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement