ChemSpider 2D Image | 4-(4-Methoxyphenyl)-2-oxo-2H-chromen-7-yl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C30H30O13

4-(4-Methoxyphenyl)-2-oxo-2H-chromen-7-yl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC30H30O13
  • Average mass598.551 Da
  • Monoisotopic mass598.168640 Da
  • ChemSpider ID17469368

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,3,4,6-Tétra-O-acétyl-β-D-glucopyranoside de 4-(4-méthoxyphényl)-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 4-(4-methoxyphenyl)-7-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
4-(4-Methoxyphenyl)-2-oxo-2H-chromen-7-yl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-(4-Methoxyphenyl)-2-oxo-2H-chromen-7-yl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2S,4S,3R,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yloxy]-2H-3,4,5,6-tetrahydropyran-3-yl acetate
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
889661-91-0 [RN]
Acetic acid 4,5-diacetoxy-6-acetoxymethyl-2-[4-(4-methoxy-phenyl)-2-oxo-2H-chromen-7-yloxy]-tetrahydro-pyran-3-yl ester

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 692.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.4±3.0 kJ/mol
    Flash Point: 289.1±31.5 °C
    Index of Refraction: 1.585
    Molar Refractivity: 144.8±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 0
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 4.72
    ACD/LogD (pH 5.5): 4.07
    ACD/BCF (pH 5.5): 733.14
    ACD/KOC (pH 5.5): 3912.93
    ACD/LogD (pH 7.4): 4.07
    ACD/BCF (pH 7.4): 733.14
    ACD/KOC (pH 7.4): 3912.93
    Polar Surface Area: 159 Å2
    Polarizability: 57.4±0.5 10-24cm3
    Surface Tension: 58.9±5.0 dyne/cm
    Molar Volume: 431.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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