ChemSpider 2D Image | 3-{(1R)-1-Hydroxy-2-[(~2~H_3_)methylamino]ethyl}phenyl hydrogen sulfate | C9H10D3NO5S

3-{(1R)-1-Hydroxy-2-[(2H3)methylamino]ethyl}phenyl hydrogen sulfate

  • Molecular FormulaC9H10D3NO5S
  • Average mass250.287 Da
  • Monoisotopic mass250.070267 Da
  • ChemSpider ID107447376

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

3-{(1R)-1-Hydroxy-2-[(2H3)methylamino]ethyl}phenyl hydrogen sulfate [ACD/IUPAC Name]
3-{(1R)-1-Hydroxy-2-[(2H3)methylamino]ethyl}phenylhydrogensulfat [German] [ACD/IUPAC Name]
Benzenemethanol, α-[(methyl-d3-amino)methyl]-3-(sulfooxy)-, (αR)- [ACD/Index Name]
Hydrogénosulfate de 3-{(1R)-1-hydroxy-2-[(2H3)méthylamino]éthyl}phényle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.589
Molar Refractivity: 57.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.21
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 171.9±3.0 cm3

Click to predict properties on the Chemicalize site


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