ChemSpider 2D Image | 5-Hydroxy-2-methyl-4-oxo-4H-chromen-7-yl 6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranoside | C22H28O13

5-Hydroxy-2-methyl-4-oxo-4H-chromen-7-yl 6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranoside

  • Molecular FormulaC22H28O13
  • Average mass500.450 Da
  • Monoisotopic mass500.152985 Da
  • ChemSpider ID58802438

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5-hydroxy-2-methyl- [ACD/Index Name]
5-Hydroxy-2-methyl-4-oxo-4H-chromen-7-yl 6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-methyl-4-oxo-4H-chromen-7-yl-6-desoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranoside de 5-hydroxy-2-méthyl-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
1507388-29-5 [RN]
7-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-methylchromen-4-one
drynachromoside a

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 812.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 123.9±3.0 kJ/mol
    Flash Point: 279.9±27.8 °C
    Index of Refraction: 1.678
    Molar Refractivity: 113.7±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 7
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 3
    ACD/LogP: -1.23
    ACD/LogD (pH 5.5): -0.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.21
    ACD/LogD (pH 7.4): -2.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 205 Å2
    Polarizability: 45.1±0.5 10-24cm3
    Surface Tension: 94.7±5.0 dyne/cm
    Molar Volume: 301.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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