ChemSpider 2D Image | 4-[(1R)-1-Hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]-1,2-benzenediol | C19H25NO5S

4-[(1R)-1-Hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]-1,2-benzenediol

  • Molecular FormulaC19H25NO5S
  • Average mass379.470 Da
  • Monoisotopic mass379.145355 Da
  • ChemSpider ID35035064

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Benzenediol, 4-[(1R)-1-hydroxy-2-[[2-[4-(2-mercaptoethoxy)-3-methoxyphenyl]ethyl]amino]ethyl]- [ACD/Index Name]
4-[(1R)-1-Hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(1R)-1-Hydroxy-2-({2-[3-méthoxy-4-(2-sulfanyléthoxy)phényl]éthyl}amino)éthyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(1R)-1-Hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]-1,2-benzoldiol [German] [ACD/IUPAC Name]
4-[(1r)-1-Hydroxy-2-({2-[3-Methoxy-4-(2-Sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-Diol
35V

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

Density: 1.3±0.1 g/cm3
Boiling Point: 627.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 333.5±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.70
Polar Surface Area: 130 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 298.5±3.0 cm3

Click to predict properties on the Chemicalize site


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