ChemSpider 2D Image | 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-beta-D-glucopyranosyl)-alpha-L-mannopyranoside | C28H32O15

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-β-D-glucopyranosyl)-α-L-mannopyranoside

  • Molecular FormulaC28H32O15
  • Average mass608.545 Da
  • Monoisotopic mass608.174133 Da
  • ChemSpider ID5501824

  • 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-O-(6-deoxy-β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)- [ACD/Index Name]
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-β-D-glucopyranosyl)-α-L-mannopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-(6-desoxy-β-D-glucopyranosyl)-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-β-D-glucopyranosyl)-α-L-mannopyranoside de 5-hydroxy-2-(3-hydroxy-4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chrome
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
5-Hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy]-chromen-4-one
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

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

ZINC04273379 [DBID]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 926.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 141.2±3.0 kJ/mol
    Flash Point: 305.2±27.8 °C
    Index of Refraction: 1.712
    Molar Refractivity: 141.7±0.4 cm3
    #H bond acceptors: 15
    #H bond donors: 8
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: 2.05
    ACD/LogD (pH 5.5): 0.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 21.54
    ACD/LogD (pH 7.4): -1.23
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.26
    Polar Surface Area: 234 Å2
    Polarizability: 56.2±0.5 10-24cm3
    Surface Tension: 101.3±5.0 dyne/cm
    Molar Volume: 361.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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