ChemSpider 2D Image | (2R,3S)-2,5-Diacetoxy-5-methoxy-1,3-pentanediyl dibenzoate (non-preferred name) | C24H26O9

(2R,3S)-2,5-Diacetoxy-5-methoxy-1,3-pentanediyl dibenzoate (non-preferred name)

  • Molecular FormulaC24H26O9
  • Average mass458.458 Da
  • Monoisotopic mass458.157684 Da
  • ChemSpider ID48057819

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2R,3S)-2,5-Diacetoxy-5-methoxy-1,3-pentandiyl-dibenzoat (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3S)-2,5-Diacetoxy-5-methoxy-1,3-pentanediyl dibenzoate (non-preferred name) [ACD/IUPAC Name]
Dibenzoate de (2R,3S)-2,5-diacétoxy-5-méthoxy-1,3-pentanediyle (non-preferred name) [French] [ACD/IUPAC Name]
(2R,3S)-2,5-diacetoxy-5-methoxypentane-1,3-diyl dibenzoate
(2R,3S)-2,5-Di-O-acetyl-1,3-di-O-benzoyl-5-methoxypentane
[(2R,3S)-2,5-diacetyloxy-3-benzoyloxy-5-methoxypentyl] benzoate
1219132-82-7 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 557.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.9±3.0 kJ/mol
    Flash Point: 238.5±30.2 °C
    Index of Refraction: 1.536
    Molar Refractivity: 116.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 0
    ACD/LogP: 4.97
    ACD/LogD (pH 5.5): 4.15
    ACD/BCF (pH 5.5): 841.61
    ACD/KOC (pH 5.5): 4319.11
    ACD/LogD (pH 7.4): 4.15
    ACD/BCF (pH 7.4): 841.61
    ACD/KOC (pH 7.4): 4319.11
    Polar Surface Area: 114 Å2
    Polarizability: 46.1±0.5 10-24cm3
    Surface Tension: 46.2±3.0 dyne/cm
    Molar Volume: 372.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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