ChemSpider 2D Image | (2S,3S)-2,3-Bis{[4-hydroxy-3-methoxy(~2~H_3_)phenyl]methyl}-1,4-butanediol | C20H20D6O6

(2S,3S)-2,3-Bis{[4-hydroxy-3-methoxy(2H3)phenyl]methyl}-1,4-butanediol

  • Molecular FormulaC20H20D6O6
  • Average mass368.454 Da
  • Monoisotopic mass368.210602 Da
  • ChemSpider ID48061424

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3S)-2,3-Bis{[4-hydroxy-3-methoxy(2H3)phenyl]methyl}-1,4-butandiol [German] [ACD/IUPAC Name]
(2S,3S)-2,3-Bis{[4-hydroxy-3-methoxy(2H3)phenyl]methyl}-1,4-butanediol [ACD/IUPAC Name]
(2S,3S)-2,3-Bis{[4-hydroxy-3-méthoxy(2H3)phényl]méthyl}-1,4-butanediol [French] [ACD/IUPAC Name]
1,4-Butanediol, 2,3-bis[(4-hydroxy-5-methoxyphenyl-2,3,6-d3)methyl]-, (2S,3S)- [ACD/Index Name]
(2S,3S)-2,3-bis[(2,3,6-trideuterio-4-hydroxy-5-methoxyphenyl)methyl]butane-1,4-diol
1346603-90-4 [RN]
rac secoisolariciresinol-d6

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 609.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.1±3.0 kJ/mol
    Flash Point: 322.1±31.5 °C
    Index of Refraction: 1.599
    Molar Refractivity: 98.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 0.98
    ACD/LogD (pH 5.5): 1.53
    ACD/BCF (pH 5.5): 8.51
    ACD/KOC (pH 5.5): 161.18
    ACD/LogD (pH 7.4): 1.52
    ACD/BCF (pH 7.4): 8.48
    ACD/KOC (pH 7.4): 160.59
    Polar Surface Area: 99 Å2
    Polarizability: 39.2±0.5 10-24cm3
    Surface Tension: 54.5±3.0 dyne/cm
    Molar Volume: 289.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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