ChemSpider 2D Image | (1S)-1-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2-[(6-fluoro-4-pyrimidinyl)amino]ethanol | C11H16FN3O3

(1S)-1-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2-[(6-fluoro-4-pyrimidinyl)amino]ethanol

  • Molecular FormulaC11H16FN3O3
  • Average mass257.261 Da
  • Monoisotopic mass257.117584 Da
  • ChemSpider ID67941692

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-1-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2-[(6-fluor-4-pyrimidinyl)amino]ethanol [German] [ACD/IUPAC Name]
(1S)-1-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2-[(6-fluoro-4-pyrimidinyl)amino]ethanol [ACD/IUPAC Name]
(1S)-1-[(4R)-2,2-Diméthyl-1,3-dioxolan-4-yl]-2-[(6-fluoro-4-pyrimidinyl)amino]éthanol [French] [ACD/IUPAC Name]
1,3-Dioxolane-4-methanol, α-[[(6-fluoro-4-pyrimidinyl)amino]methyl]-2,2-dimethyl-, (αS,4R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 422.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 209.3±28.7 °C
Index of Refraction: 1.548
Molar Refractivity: 62.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.44
ACD/KOC (pH 5.5): 116.86
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.45
ACD/KOC (pH 7.4): 117.14
Polar Surface Area: 77 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 196.8±3.0 cm3

Click to predict properties on the Chemicalize site


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