ChemSpider 2D Image | (1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-2-{4-[(1E)-3-hydroxy-1-propen-1-yl]-2,6-dimethoxyphenoxy}-1,3-propanediol | C21H26O8

(1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-2-{4-[(1E)-3-hydroxy-1-propen-1-yl]-2,6-dimethoxyphenoxy}-1,3-propanediol

  • Molecular FormulaC21H26O8
  • Average mass406.426 Da
  • Monoisotopic mass406.162781 Da
  • ChemSpider ID30772630

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-2-{4-[(1E)-3-hydroxy-1-propen-1-yl]-2,6-dimethoxyphenoxy}-1,3-propandiol [German] [ACD/IUPAC Name]
(1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-2-{4-[(1E)-3-hydroxy-1-propen-1-yl]-2,6-dimethoxyphenoxy}-1,3-propanediol [ACD/IUPAC Name]
(1S,2R)-1-(4-Hydroxy-3-méthoxyphényl)-2-{4-[(1E)-3-hydroxy-1-propén-1-yl]-2,6-diméthoxyphénoxy}-1,3-propanediol [French] [ACD/IUPAC Name]
1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(1E)-3-hydroxy-1-propen-1-yl]-2,6-dimethoxyphenoxy]-, (1S,2R)- [ACD/Index Name]
(1S,?2R)?-1-?(4-?hydroxy-?3-?methoxyphenyl)?-?2-?[4-?[(1E)?-?3-?hydroxy-?1-?propen-?1-?yl]?-?2,?6-?dimethoxyphenoxy]?-?1,?3-?Propanediol
(1S,2R)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propane-1,3-diol
877875-96-2 [RN]
erythro-Guaiacylglycerol ?-sinapyl ether
erythro-Guaiacylglycerol β-sinapyl ether
MFCD28009415

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

Density: 1.3±0.1 g/cm3
Boiling Point: 667.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 357.6±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 109.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 2.14
ACD/KOC (pH 5.5): 59.98
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.13
ACD/KOC (pH 7.4): 59.81
Polar Surface Area: 118 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 312.2±3.0 cm3

Click to predict properties on the Chemicalize site


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