ChemSpider 2D Image | Poncirin | C28H34O14

Poncirin

  • Molecular FormulaC28H34O14
  • Average mass594.561 Da
  • Monoisotopic mass594.194885 Da
  • ChemSpider ID76426
  • defined stereocentres - 10 of 11 defined stereocentres


More details:






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

2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 5-hydroxy-2-(4-méthoxyphényl)-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)- [ACD/Index Name]
5-hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranoside
5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Poncirin [Wiki]
(S)-7-((2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-4H-benzopyran-4-one
[14941-08-3] [RN]
4H-1-Benzopyran-4-one,7-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-,(S)-
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

74301 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 900.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 137.1±3.0 kJ/mol
    Flash Point: 296.5±27.8 °C
    Index of Refraction: 1.678
    Molar Refractivity: 140.5±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 7
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: 3.39
    ACD/LogD (pH 5.5): 0.96
    ACD/BCF (pH 5.5): 3.15
    ACD/KOC (pH 5.5): 78.55
    ACD/LogD (pH 7.4): 0.52
    ACD/BCF (pH 7.4): 1.15
    ACD/KOC (pH 7.4): 28.79
    Polar Surface Area: 214 Å2
    Polarizability: 55.7±0.5 10-24cm3
    Surface Tension: 89.8±5.0 dyne/cm
    Molar Volume: 372.6±5.0 cm3

    Click to predict properties on the Chemicalize site






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