ChemSpider 2D Image | 3,5-Dihydroxy-4-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]phenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C28H34O14

3,5-Dihydroxy-4-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]phenyl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC28H34O14
  • Average mass594.561 Da
  • Monoisotopic mass594.194885 Da
  • ChemSpider ID58802141

  • 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-Propen-1-one, 1-[4-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(4-methoxyphenyl)-, (2E)- [ACD/Index Name]
3,5-Dihydroxy-4-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]phenyl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-4-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]phenyl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
532959-70-9 [RN]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 3,5-dihydroxy-4-[(2E)-3-(4-méthoxyphényl)-2-propenoyl]phényle [French] [ACD/IUPAC Name]
877372-36-6 [RN]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 921.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 140.3±3.0 kJ/mol
    Flash Point: 302.4±27.8 °C
    Index of Refraction: 1.682
    Molar Refractivity: 142.2±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 8
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 3
    ACD/LogP: 3.05
    ACD/LogD (pH 5.5): 0.87
    ACD/BCF (pH 5.5): 2.66
    ACD/KOC (pH 5.5): 68.46
    ACD/LogD (pH 7.4): -0.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 8.29
    Polar Surface Area: 225 Å2
    Polarizability: 56.4±0.5 10-24cm3
    Surface Tension: 92.0±5.0 dyne/cm
    Molar Volume: 375.4±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement