ChemSpider 2D Image | (2S)-2-{3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxyphenyl}-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one | C25H28O6

(2S)-2-{3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxyphenyl}-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC25H28O6
  • Average mass424.486 Da
  • Monoisotopic mass424.188599 Da
  • ChemSpider ID24846516

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxyphenyl}-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-2-{3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxyphenyl}-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-2-{3-[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]-2,4-dihydroxyphényl}-5,7-dihydroxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-, (2S)- [ACD/Index Name]
(2S)-2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
[174423-30-4] [RN]
174423-30-4 [RN]
5,7,2',4'-Tetrahydroxy-3'-geranylflavanone
MFCD23103633
Sanggenol A

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 683.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.9±3.0 kJ/mol
    Flash Point: 234.0±25.0 °C
    Index of Refraction: 1.629
    Molar Refractivity: 118.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 6.60
    ACD/LogD (pH 5.5): 5.73
    ACD/BCF (pH 5.5): 13256.41
    ACD/KOC (pH 5.5): 30903.68
    ACD/LogD (pH 7.4): 5.31
    ACD/BCF (pH 7.4): 5069.54
    ACD/KOC (pH 7.4): 11818.24
    Polar Surface Area: 107 Å2
    Polarizability: 47.0±0.5 10-24cm3
    Surface Tension: 57.3±3.0 dyne/cm
    Molar Volume: 333.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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