ChemSpider 2D Image | 6-Methoxy-2-oxo-2H-chromen-7-yl 6-O-(6-deoxy-L-mannopyranosyl)-D-glucopyranoside | C22H28O13

6-Methoxy-2-oxo-2H-chromen-7-yl 6-O-(6-deoxy-L-mannopyranosyl)-D-glucopyranoside

  • Molecular FormulaC22H28O13
  • Average mass500.450 Da
  • Monoisotopic mass500.152985 Da
  • ChemSpider ID17472473

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 7-[[6-O-(6-deoxy-L-mannopyranosyl)-D-glucopyranosyl]oxy]-6-methoxy- [ACD/Index Name]
6-Methoxy-2-oxo-2H-chromen-7-yl 6-O-(6-deoxy-L-mannopyranosyl)-D-glucopyranoside [ACD/IUPAC Name]
6-Methoxy-2-oxo-2H-chromen-7-yl-6-O-(6-desoxy-L-mannopyranosyl)-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-L-mannopyranosyl)-D-glucopyranoside de 6-méthoxy-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
6-methoxy-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 794.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 121.1±3.0 kJ/mol
    Flash Point: 273.3±26.4 °C
    Index of Refraction: 1.657
    Molar Refractivity: 114.2±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 6
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: 0.30
    ACD/LogD (pH 5.5): -0.81
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.68
    ACD/LogD (pH 7.4): -0.81
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 8.68
    Polar Surface Area: 194 Å2
    Polarizability: 45.3±0.5 10-24cm3
    Surface Tension: 86.9±5.0 dyne/cm
    Molar Volume: 310.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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