ChemSpider 2D Image | (2S,3S)-2,3-Bis[(2-methylbenzoyl)oxy]succinic acid | C20H18O8

(2S,3S)-2,3-Bis[(2-methylbenzoyl)oxy]succinic acid

  • Molecular FormulaC20H18O8
  • Average mass386.352 Da
  • Monoisotopic mass386.100159 Da
  • ChemSpider ID29366288
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,3S)-2,3-Bis[(2-methylbenzoyl)oxy]bernsteinsäure [German] [ACD/IUPAC Name]
(2S,3S)-2,3-Bis[(2-methylbenzoyl)oxy]succinic acid [ACD/IUPAC Name]
Acide (2S,3S)-2,3-bis[(2-méthylbenzoyl)oxy]succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2,3-bis[(2-methylbenzoyl)oxy]-, (2S,3S)- [ACD/Index Name]
(2S,3S)-2,3-Bis((2-methylbenzoyl)oxy)succinic acid
391624-66-1 [RN]
Di-o-toluoyl-D-tartaricacid
DS-11542
MFCD11114441

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.4±0.1 g/cm3
    Boiling Point: 607.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.0±3.0 kJ/mol
    Flash Point: 215.9±25.0 °C
    Index of Refraction: 1.597
    Molar Refractivity: 96.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 6.74
    ACD/LogD (pH 5.5): 0.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 127 Å2
    Polarizability: 38.0±0.5 10-24cm3
    Surface Tension: 60.4±3.0 dyne/cm
    Molar Volume: 281.7±3.0 cm3

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