ChemSpider 2D Image | Neodiosmin | C28H32O15

Neodiosmin

  • Molecular FormulaC28H32O15
  • Average mass608.545 Da
  • Monoisotopic mass608.174133 Da
  • ChemSpider ID29273171

  • defined stereocentres - 10 of 10 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-(3-hydroxy-4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
38665-01-9 [RN]
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)- [ACD/Index Name]
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Diosmetin-7-O-neohesperidoside
Neodiosmin
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one
diosmetin 7-neohesperidoside
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 930.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 141.8±3.0 kJ/mol
    Flash Point: 306.4±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: 2.71
    ACD/LogD (pH 5.5): 0.31
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 31.39
    ACD/LogD (pH 7.4): -0.93
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.81
    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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