ChemSpider 2D Image | Methyl (2S)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)propanoate | C12H16O6

Methyl (2S)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)propanoate

  • Molecular FormulaC12H16O6
  • Average mass256.252 Da
  • Monoisotopic mass256.094696 Da
  • ChemSpider ID26345570
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-3-Hydroxy-2-(4-hydroxy-3,5-diméthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-hydroxy-α-(hydroxymethyl)-3,5-dimethoxy-, methyl ester, (αS)- [ACD/Index Name]
Methyl (2S)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-(2S)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 424.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 161.4±22.2 °C
Index of Refraction: 1.538
Molar Refractivity: 63.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.58
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 37.92
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 37.72
Polar Surface Area: 85 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 203.4±3.0 cm3

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