ChemSpider 2D Image | Angelicain | C15H16O6

Angelicain

  • Molecular FormulaC15H16O6
  • Average mass292.284 Da
  • Monoisotopic mass292.094696 Da
  • ChemSpider ID24664417

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-Hydroxy-7-(hydroxymethyl)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-5H-furo[3,2-g]chromen-5-on [German] [ACD/IUPAC Name]
(2S)-4-Hydroxy-7-(hydroxymethyl)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-5H-furo[3,2-g]chromen-5-one [ACD/IUPAC Name]
(2S)-4-Hydroxy-7-(hydroxyméthyl)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-5H-furo[3,2-g]chromén-5-one [French] [ACD/IUPAC Name]
49624-66-0 [RN]
5H-Furo[3,2-g][1]benzopyran-5-one, 2,3-dihydro-4-hydroxy-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-, (2S)- [ACD/Index Name]
Angelicain
norcimifugin
(S)-4-Hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2H-furo[3,2-g]chromen-5(3H)-one
[49624-66-0] [RN]
5H-Furo[3,2-g][1]benzopyran-5-one,2,3- dihydro-4-hydroxy-7-(hydroxymethyl)-2-(1- hydroxy-1-methylethyl)-,(2S)-
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 534.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.3±3.0 kJ/mol
    Flash Point: 203.4±23.6 °C
    Index of Refraction: 1.643
    Molar Refractivity: 72.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.69
    ACD/LogD (pH 5.5): 1.90
    ACD/BCF (pH 5.5): 16.14
    ACD/KOC (pH 5.5): 249.62
    ACD/LogD (pH 7.4): 1.09
    ACD/BCF (pH 7.4): 2.48
    ACD/KOC (pH 7.4): 38.36
    Polar Surface Area: 96 Å2
    Polarizability: 28.6±0.5 10-24cm3
    Surface Tension: 68.1±3.0 dyne/cm
    Molar Volume: 199.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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