ChemSpider 2D Image | Secoisolariciresinol diglucoside | C32H46O16

Secoisolariciresinol diglucoside

  • Molecular FormulaC32H46O16
  • Average mass686.698 Da
  • Monoisotopic mass686.278564 Da
  • ChemSpider ID8093627

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3R)-4-(β-D-Glucopyranosyloxy)-2,3-bis(4-hydroxy-3-methoxybenzyl)butyl β-D-glucopyranoside [ACD/IUPAC Name]
(2R,3R)-4-(β-D-Glucopyranosyloxy)-2,3-bis(4-hydroxy-3-methoxybenzyl)butyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2R,3R,4S,5S,6R)-2-[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
148244-82-0 [RN]
158932-33-3 [RN]
Secoisolariciresinol diglucoside [Wiki]
Seco-isolariciresinol diglucoside
β-D-Glucopyranoside de (2R,3R)-4-(β-D-glucopyranosyloxy)-2,3-bis(4-hydroxy-3-méthoxybenzyl)butyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2R,3R)-4-(β-D-glucopyranosyloxy)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butyl [ACD/Index Name]
(2R,?3R)?-?2,?3-?bis[(4-?hydroxy-?3-?methoxyphenyl)?methyl]?-?1,?4-?butanediyl bis-?-?D-?Glucopyranoside
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

T9281L29MV [DBID]
UNII:T9281L29MV [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 989.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 151.1±3.0 kJ/mol
    Flash Point: 552.0±34.3 °C
    Index of Refraction: 1.655
    Molar Refractivity: 165.5±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 10
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 3
    ACD/LogP: -2.79
    ACD/LogD (pH 5.5): -1.92
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.15
    ACD/LogD (pH 7.4): -1.92
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.15
    Polar Surface Area: 258 Å2
    Polarizability: 65.6±0.5 10-24cm3
    Surface Tension: 87.8±5.0 dyne/cm
    Molar Volume: 450.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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