ChemSpider 2D Image | 1-(4-Hydroxy-3-methoxyphenyl)-2-{4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}-1,3-propanediol | C31H38O11

1-(4-Hydroxy-3-methoxyphenyl)-2-{4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}-1,3-propanediol

  • Molecular FormulaC31H38O11
  • Average mass586.627 Da
  • Monoisotopic mass586.241394 Da
  • ChemSpider ID9321432

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1-(4-Hydroxy-3-methoxyphenyl)-2-{4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}-1,3-propandiol [German] [ACD/IUPAC Name]
1-(4-Hydroxy-3-methoxyphenyl)-2-{4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}-1,3-propanediol [ACD/IUPAC Name]
1-(4-Hydroxy-3-méthoxyphényl)-2-{4-[(2R,3R)-3-(hydroxyméthyl)-5-(3-hydroxypropyl)-7-méthoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-diméthoxyphénoxy}-1,3-propanediol [French] [ACD/IUPAC Name]
1,3-Propanediol, 2-[4-[(2R,3R)-2,3-dihydro-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2-benzofuranyl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 803.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 440.0±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.28
ACD/KOC (pH 5.5): 171.42
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.25
ACD/KOC (pH 7.4): 170.92
Polar Surface Area: 157 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 447.4±3.0 cm3

Click to predict properties on the Chemicalize site


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