ChemSpider 2D Image | 4-{(2S,3R)-3-(Hydroxymethyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2-methoxyphenyl beta-D-glucopyranoside | C26H32O11

4-{(2S,3R)-3-(Hydroxymethyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2-methoxyphenyl β-D-glucopyranoside

  • Molecular FormulaC26H32O11
  • Average mass520.526 Da
  • Monoisotopic mass520.194458 Da
  • ChemSpider ID4475499

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

4-{(2S,3R)-3-(Hydroxymethyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-{(2S,3R)-3-(Hydroxymethyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-{(2S,3R)-3-(hydroxyméthyl)-5-[(1E)-3-hydroxy-1-propén-1-yl]-7-méthoxy-2,3-dihydro-1-benzofuran-2-yl}-2-méthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-[(2S,3R)-2,3-dihydro-3-(hydroxymethyl)-5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2-benzofuranyl]-2-methoxyphenyl [ACD/Index Name]
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2S,3R)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
107870-88-2 [RN]
Dehydrodiconiferyl alcohol 4-O-β-D-glucopyranoside
methoxyphenoxy]oxane-3,4,5-triol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 756.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 411.2±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 132.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.67
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.67
Polar Surface Area: 168 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 365.9±3.0 cm3

Click to predict properties on the Chemicalize site


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