ChemSpider 2D Image | Methyl hesperidin | C29H36O15

Methyl hesperidin

  • Molecular FormulaC29H36O15
  • Average mass624.587 Da
  • Monoisotopic mass624.205444 Da
  • ChemSpider ID25027416
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(2S)-2-(3-Hydroxy-4-methoxyphenyl)-5-methoxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-2-(3-Hydroxy-4-methoxyphenyl)-5-methoxy-4-oxo-3,4-dihydro-2H-chromen-7-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
11013-97-1 [RN]
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-2-(3-hydroxy-4-methoxyphenyl)-5-methoxy-, (2S)- [ACD/Index Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (2S)-2-(3-hydroxy-4-méthoxyphényl)-5-méthoxy-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
Methyl hesperidin
Methyl Hesperidine
MFCD01741310 [MDL number]
(2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5
(2S)-2-(3-hydroxy-4-methoxyphenyl)-5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.6±0.1 g/cm3
    Boiling Point: 914.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 139.3±3.0 kJ/mol
    Flash Point: 297.7±27.8 °C
    Index of Refraction: 1.668
    Molar Refractivity: 146.8±0.4 cm3
    #H bond acceptors: 15
    #H bond donors: 7
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 1.22
    ACD/LogD (pH 5.5): 0.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 28.16
    ACD/LogD (pH 7.4): 0.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 27.99
    Polar Surface Area: 223 Å2
    Polarizability: 58.2±0.5 10-24cm3
    Surface Tension: 87.6±5.0 dyne/cm
    Molar Volume: 394.1±5.0 cm3

    Click to predict properties on the Chemicalize site






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