ChemSpider 2D Image | 2-(3-Hydroxy-4-methoxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C31H40O15

2-(3-Hydroxy-4-methoxyphenyl)ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC31H40O15
  • Average mass652.640 Da
  • Monoisotopic mass652.236694 Da
  • ChemSpider ID28424528

  • 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-Hydroxy-4-methoxyphenyl)ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3-Hydroxy-4-methoxyphenyl)ethyl-3-O-(6-desoxy-α-L-mannopyranosyl)-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3-O-(6-Désoxy-α-L-mannopyranosyl)-6-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-glucopyranoside de 2-(3-hydroxy-4-méthoxyphényl)éthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
[94410-22-7] [RN]
94410-22-7 [RN]
Isomartynoside
MFCD20260797

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 895.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 136.3±3.0 kJ/mol
    Flash Point: 285.2±27.8 °C
    Index of Refraction: 1.641
    Molar Refractivity: 158.1±0.4 cm3
    #H bond acceptors: 15
    #H bond donors: 7
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 3
    ACD/LogP: 3.10
    ACD/LogD (pH 5.5): 0.70
    ACD/BCF (pH 5.5): 2.00
    ACD/KOC (pH 5.5): 57.07
    ACD/LogD (pH 7.4): 0.69
    ACD/BCF (pH 7.4): 1.98
    ACD/KOC (pH 7.4): 56.64
    Polar Surface Area: 223 Å2
    Polarizability: 62.7±0.5 10-24cm3
    Surface Tension: 79.1±5.0 dyne/cm
    Molar Volume: 438.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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