ChemSpider 2D Image | Forsythiaside | C29H36O15

Forsythiaside

  • Molecular FormulaC29H36O15
  • Average mass624.587 Da
  • Monoisotopic mass624.205444 Da
  • ChemSpider ID4445086

  • 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

(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
2-(3,4-Dihydroxyphenyl)ethyl 6-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)ethyl 6-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
2-(3,4-Dihydroxyphenyl)ethyl-6-O-(6-desoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)éthyle [French] [ACD/IUPAC Name]
79916-77-1 [RN]
Forsythiaside
Forsythoside A
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 6-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
[(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

OUH5BQ893P [DBID]
C10456 [DBID]
UNII:OUH5BQ893P [DBID]
UNII-OUH5BQ893P [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 911.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 138.9±3.0 kJ/mol
    Flash Point: 295.7±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: 2.12
    ACD/LogD (pH 5.5): 0.77
    ACD/BCF (pH 5.5): 2.28
    ACD/KOC (pH 5.5): 62.67
    ACD/LogD (pH 7.4): 0.77
    ACD/BCF (pH 7.4): 2.25
    ACD/KOC (pH 7.4): 61.92
    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

    Click to predict properties on the Chemicalize site


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