ChemSpider 2D Image | (1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-1,2,3-propanetriol | C10H14O5

(1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-1,2,3-propanetriol

  • Molecular FormulaC10H14O5
  • Average mass214.215 Da
  • Monoisotopic mass214.084122 Da
  • ChemSpider ID28425479

  • 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)-1,2,3-propanetriol [ACD/IUPAC Name]
(1S,2R)-1-(4-Hydroxy-3-méthoxyphényl)-1,2,3-propanetriol [French] [ACD/IUPAC Name]
(1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-1,2,3-propantriol [German] [ACD/IUPAC Name]
1,2,3-Propanetriol, 1-(4-hydroxy-3-methoxyphenyl)-, (1S,2R)- [ACD/Index Name]
38916-91-5 [RN]
erythro-Guaiacylglycerol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 483.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 246.3±28.7 °C
Index of Refraction: 1.608
Molar Refractivity: 53.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.58
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.57
Polar Surface Area: 90 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 154.8±3.0 cm3

Click to predict properties on the Chemicalize site


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