ChemSpider 2D Image | (S,S)-secoisolariciresinol diglucoside | C32H46O16

(S,S)-secoisolariciresinol diglucoside

  • Molecular FormulaC32H46O16
  • Average mass686.698 Da
  • Monoisotopic mass686.278564 Da
  • ChemSpider ID30829994

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2S,3S)-4-(β-D-Glucopyranosyloxy)-2,3-bis(4-hydroxy-3-methoxybenzyl)butyl β-D-glucopyranoside [ACD/IUPAC Name]
(2S,3S)-4-(β-D-Glucopyranosyloxy)-2,3-bis(4-hydroxy-3-methoxybenzyl)butyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(S,S)-secoisolariciresinol diglucoside
β-D-Glucopyranoside de (2S,3S)-4-(β-D-glucopyranosyloxy)-2,3-bis(4-hydroxy-3-méthoxybenzyl)butyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2S,3S)-4-(β-D-glucopyranosyloxy)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butyl [ACD/Index Name]
(+)-Secoisolariciresinoldiglucoside
(2R,3R,4S,5S,6R)-2-[(2S,3S)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
257930-74-8 [RN]
Secoisolariciresinol diglucoside [Wiki]

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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