ChemSpider 2D Image | Neohesperidin | C28H34O15

Neohesperidin

  • Molecular FormulaC28H34O15
  • Average mass610.561 Da
  • Monoisotopic mass610.189758 Da
  • ChemSpider ID21468824

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S)-5-Hydroxy-2-(3-hydroxy-5-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-5-Hydroxy-2-(3-hydroxy-5-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (2S)-5-hydroxy-2-(3-hydroxy-5-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-(3-hydroxy-5-methoxyphenyl)-, (2S)- [ACD/Index Name]
Neohesperidin [Wiki]
(2S)-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-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
(S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(3-hydroxy-5-methoxyphenyl
(S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(3-hydroxy-5-methoxyphenyl)chroman-4-one
1134355-91-1 [RN]
236-216-9 [EINECS]
More...

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 948.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 144.7±3.0 kJ/mol
    Flash Point: 311.8±27.8 °C
    Index of Refraction: 1.695
    Molar Refractivity: 142.0±0.4 cm3
    #H bond acceptors: 15
    #H bond donors: 8
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: 2.77
    ACD/LogD (pH 5.5): 0.42
    ACD/BCF (pH 5.5): 1.22
    ACD/KOC (pH 5.5): 39.92
    ACD/LogD (pH 7.4): -0.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 14.17
    Polar Surface Area: 234 Å2
    Polarizability: 56.3±0.5 10-24cm3
    Surface Tension: 98.0±5.0 dyne/cm
    Molar Volume: 369.3±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement