ChemSpider 2D Image | (2S)-2-(3-Hydroxy-4-methoxyphenyl)-7-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]methoxy}tetrahydro-2H-pyran-2-yl]oxy}-2,3-dihydro-4H-chr omen-4-one | C28H34O14

(2S)-2-(3-Hydroxy-4-methoxyphenyl)-7-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]methoxy}tetrahydro-2H-pyran-2-yl]oxy}-2,3-dihydro-4H-chr omen-4-one

  • Molecular FormulaC28H34O14
  • Average mass594.561 Da
  • Monoisotopic mass594.194885 Da
  • ChemSpider ID32697272

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S)-2-(3-Hydroxy-4-methoxyphenyl)-7-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]methoxy}tetrahydro-2H-pyran-2-yl]oxy}-2,3-dihydro-4H-chr omen-4-on [German] [ACD/IUPAC Name]
(2S)-2-(3-Hydroxy-4-methoxyphenyl)-7-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]methoxy}tetrahydro-2H-pyran-2-yl]oxy}-2,3-dihydro-4H-chr omen-4-one [ACD/IUPAC Name]
(2S)-2-(3-Hydroxy-4-méthoxyphényl)-7-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]méthoxy}tétrahydro-2H-pyran-2-yl]oxy}-2,3-dihydro-4H-chr omén-4-one [French] [ACD/IUPAC Name]
208-291-8 [EINECS]
38562-01-5 [RN]
520-34-3 [RN]
Dinoprost trometamol salt
Diosmetin [Wiki]
MFCD00017425 [MDL number]

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

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 880.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 134.1±3.0 kJ/mol
    Flash Point: 289.9±27.8 °C
    Index of Refraction: 1.678
    Molar Refractivity: 140.5±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 7
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: 1.32
    ACD/LogD (pH 5.5): 0.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 30.65
    ACD/LogD (pH 7.4): 0.20
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 30.47
    Polar Surface Area: 214 Å2
    Polarizability: 55.7±0.5 10-24cm3
    Surface Tension: 89.8±5.0 dyne/cm
    Molar Volume: 372.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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