ChemSpider 2D Image | Plantamajoside | C29H36O16

Plantamajoside

  • Molecular FormulaC29H36O16
  • Average mass640.586 Da
  • Monoisotopic mass640.200317 Da
  • ChemSpider ID4445101

  • 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

(E)-(2R,3R,4R,5R,6R)-6-(3,4-Dihydroxyphenethoxy)-5-hydroxy-2-(hydroxymethyl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl 3-(3,4-dihydroxyphenyl)acrylate
104777-68-6 [RN]
2-(3,4-Dihydroxyphenyl)ethyl 4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-3-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)ethyl-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-3-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-[(2E)-3-(3,4-Dihydroxyphényl)-2-propenoyl]-3-O-β-D-glucopyranosyl-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)éthyle [French] [ACD/IUPAC Name]
Plantamajoside
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-3-O-β-D-glucopyranosyl- [ACD/Index Name]
(2R,3R,4R,5R,6R)-6-(3,4-dihydroxyphenethoxy)-5-hydroxy-2-(hydroxymethyl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl (E)-3-(3,4-dihydroxyphenyl)acrylate
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
[104777-68-6] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C10485 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.7±0.1 g/cm3
    Boiling Point: 953.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 145.3±3.0 kJ/mol
    Flash Point: 308.5±27.8 °C
    Index of Refraction: 1.705
    Molar Refractivity: 149.9±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 10
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 3
    ACD/LogP: -0.76
    ACD/LogD (pH 5.5): -0.96
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.12
    ACD/LogD (pH 7.4): -0.97
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 7.03
    Polar Surface Area: 266 Å2
    Polarizability: 59.4±0.5 10-24cm3
    Surface Tension: 105.6±5.0 dyne/cm
    Molar Volume: 385.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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