ChemSpider 2D Image | cis-mulberroside a | C26H32O14

cis-mulberroside a

  • Molecular FormulaC26H32O14
  • Average mass568.524 Da
  • Monoisotopic mass568.179199 Da
  • ChemSpider ID62782954

  • 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

166734-06-1 [RN]
3-{(Z)-2-[4-(β-D-Glucopyranosyloxy)-2-hydroxyphenyl]vinyl}-5-hydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
3-{(Z)-2-[4-(β-D-Glucopyranosyloxy)-2-hydroxyphenyl]vinyl}-5-hydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
cis-mulberroside a
β-D-Glucopyranoside de 3-{(Z)-2-[4-(β-D-glucopyranosyloxy)-2-hydroxyphényl]vinyl}-5-hydroxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3-[(Z)-2-[4-(β-D-glucopyranosyloxy)-2-hydroxyphenyl]ethenyl]-5-hydroxyphenyl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-[3-Hydroxy-4-[(Z)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MFCD17167012
β-D-Glucopyranoside 3-[(1Z)-2-[4-(β-D-glucopyranosyloxy)-2-hydroxyphenyl]ethenyl]-5-hydroxyphenyl

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 954.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 145.6±3.0 kJ/mol
    Flash Point: 531.2±34.3 °C
    Index of Refraction: 1.742
    Molar Refractivity: 138.8±0.3 cm3
    #H bond acceptors: 14
    #H bond donors: 10
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: -1.16
    ACD/LogD (pH 5.5): -1.51
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.60
    ACD/LogD (pH 7.4): -1.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.51
    Polar Surface Area: 239 Å2
    Polarizability: 55.0±0.5 10-24cm3
    Surface Tension: 87.7±3.0 dyne/cm
    Molar Volume: 343.7±3.0 cm3

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