ChemSpider 2D Image | Magnoloside A | C29H36O15

Magnoloside A

  • Molecular FormulaC29H36O15
  • Average mass624.587 Da
  • Monoisotopic mass624.205444 Da
  • ChemSpider ID10258855

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)ethyl 2-O-(6-deoxy-α-L-mannopyranosyl)-3-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-allopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)ethyl-2-O-(6-desoxy-α-L-mannopyranosyl)-3-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-allopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-3-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-allopyranoside de 2-(3,4-dihydroxyphényl)éthyle [French] [ACD/IUPAC Name]
Magnoloside A
β-D-Allopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 2-O-(6-deoxy-α-L-mannopyranosyl)-3-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
[113557-95-2] [RN]
113557-95-2 [RN]
MFCD20260486

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 908.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 138.4±3.0 kJ/mol
    Flash Point: 294.7±27.8 °C
    Index of Refraction: 1.689
    Molar Refractivity: 148.4±0.4 cm3
    #H bond acceptors: 15
    #H bond donors: 9
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 3
    ACD/LogP: 2.61
    ACD/LogD (pH 5.5): 0.85
    ACD/BCF (pH 5.5): 2.62
    ACD/KOC (pH 5.5): 69.29
    ACD/LogD (pH 7.4): 0.85
    ACD/BCF (pH 7.4): 2.59
    ACD/KOC (pH 7.4): 68.47
    Polar Surface Area: 245 Å2
    Polarizability: 58.8±0.5 10-24cm3
    Surface Tension: 97.1±5.0 dyne/cm
    Molar Volume: 388.6±5.0 cm3

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