ChemSpider 2D Image | (1R,3S)-7-(5-Fluoro-4-methoxy-2-pyrimidinyl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol | C15H22FN3O4

(1R,3S)-7-(5-Fluoro-4-methoxy-2-pyrimidinyl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol

  • Molecular FormulaC15H22FN3O4
  • Average mass327.351 Da
  • Monoisotopic mass327.159424 Da
  • ChemSpider ID29681360

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-7-(5-Fluor-4-methoxy-2-pyrimidinyl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol [German] [ACD/IUPAC Name]
(1R,3S)-7-(5-Fluoro-4-methoxy-2-pyrimidinyl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol [ACD/IUPAC Name]
(1R,3S)-7-(5-Fluoro-4-méthoxy-2-pyrimidinyl)-3-(2-hydroxyéthoxy)-7-azaspiro[3.5]nonan-1-ol [French] [ACD/IUPAC Name]
7-Azaspiro[3.5]nonan-1-ol, 7-(5-fluoro-4-methoxy-2-pyrimidinyl)-3-(2-hydroxyethoxy)-, (1R,3S)- [ACD/Index Name]
(1R*,3S*)-7-(5-fluoro-4-methoxy-2-pyrimidinyl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 555.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 290.0±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 79.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.20
ACD/KOC (pH 5.5): 68.23
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.55
ACD/KOC (pH 7.4): 118.36
Polar Surface Area: 88 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 238.0±5.0 cm3

Click to predict properties on the Chemicalize site


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