ChemSpider 2D Image | 3,4,7-Trimethyl-2-oxo-2H-chromen-5-yl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C26H30O12

3,4,7-Trimethyl-2-oxo-2H-chromen-5-yl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC26H30O12
  • Average mass534.509 Da
  • Monoisotopic mass534.173706 Da
  • ChemSpider ID17467112

  • 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 3,4,7-triméthyl-2-oxo-2H-chromén-5-yle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 3,4,7-trimethyl-5-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
3,4,7-Trimethyl-2-oxo-2H-chromen-5-yl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
3,4,7-Trimethyl-2-oxo-2H-chromen-5-yl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-((3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
(2S,4S,3R,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yloxy)-2H-3,4,5,6-tetrahydropyran-4-yl acetate
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyoxan-2-yl]methyl acetate
956822-13-2 [RN]
Acetic acid 3,5-diacetoxy-2-acetoxymethyl-6-(3,4,7-trimethyl-2-oxo-2H-chromen-5-yloxy)-tetrahydro-pyran-4-yl ester

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 627.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.9±3.0 kJ/mol
    Flash Point: 265.5±31.5 °C
    Index of Refraction: 1.550
    Molar Refractivity: 127.4±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 0
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 4.27
    ACD/LogD (pH 5.5): 3.55
    ACD/BCF (pH 5.5): 294.05
    ACD/KOC (pH 5.5): 2034.70
    ACD/LogD (pH 7.4): 3.55
    ACD/BCF (pH 7.4): 294.05
    ACD/KOC (pH 7.4): 2034.70
    Polar Surface Area: 150 Å2
    Polarizability: 50.5±0.5 10-24cm3
    Surface Tension: 53.0±5.0 dyne/cm
    Molar Volume: 399.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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