ChemSpider 2D Image | 3-(4-Methoxyphenyl)-4-oxo-7-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-4H-chromen-5-yl acetate | C32H32O15

3-(4-Methoxyphenyl)-4-oxo-7-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-4H-chromen-5-yl acetate

  • Molecular FormulaC32H32O15
  • Average mass656.588 Da
  • Monoisotopic mass656.174133 Da
  • ChemSpider ID17462409

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-(4-Methoxyphenyl)-4-oxo-7-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-4H-chromen-5-yl acetate [ACD/IUPAC Name]
3-(4-Methoxyphenyl)-4-oxo-7-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-4H-chromen-5-yl-acetat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-(acetyloxy)-3-(4-methoxyphenyl)-7-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
Acétate de 3-(4-méthoxyphényl)-4-oxo-7-[(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)oxy]-4H-chromén-5-yle [French] [ACD/IUPAC Name]
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-acetyloxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
[(2S,3R,4S,5R,6R)-4,5-DIACETYLOXY-2-[5-ACETYLOXY-3-(4-METHOXYPHENYL)-4-OXOCHROMEN-7-YL]OXY-6-(ACETYLOXYMETHYL)OXAN-3-YL] ACETATE
5928-27-8 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 743.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 108.4±3.0 kJ/mol
    Flash Point: 306.8±32.9 °C
    Index of Refraction: 1.584
    Molar Refractivity: 155.9±0.4 cm3
    #H bond acceptors: 15
    #H bond donors: 0
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 2
    ACD/LogP: 3.67
    ACD/LogD (pH 5.5): 3.35
    ACD/BCF (pH 5.5): 207.88
    ACD/KOC (pH 5.5): 1587.43
    ACD/LogD (pH 7.4): 3.35
    ACD/BCF (pH 7.4): 207.88
    ACD/KOC (pH 7.4): 1587.43
    Polar Surface Area: 185 Å2
    Polarizability: 61.8±0.5 10-24cm3
    Surface Tension: 60.6±5.0 dyne/cm
    Molar Volume: 466.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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