ChemSpider 2D Image | (4R,4a'R,10a'S)-8'-(2-Fluoro-3-pyridinyl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine | C20H20FN3O3

(4R,4a'R,10a'S)-8'-(2-Fluoro-3-pyridinyl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine

  • Molecular FormulaC20H20FN3O3
  • Average mass369.389 Da
  • Monoisotopic mass369.148865 Da
  • ChemSpider ID35035301

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,4a'R,10a'S)-8'-(2-Fluoro-3-pyridinyl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine [ACD/IUPAC Name]
(4r,4a'r,10a's)-8'-(2-Fluoropyridin-3-Yl)-4a'-Methyl-3',4',4a',10a'-Tetrahydro-2'h-Spiro[1,3-Oxazole-4,10'-Pyrano[3,2-B]chromen]-2-Amine
Spiro[oxazole-4(5H),10'(2'H)-pyrano[3,2-b][1]benzopyran]-2-amine, 8'-(2-fluoro-3-pyridinyl)-3',4',4'a,10'a-tetrahydro-4'a-methyl-, (4R,4a'R,10a'S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 567.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.0±32.9 °C
Index of Refraction: 1.683
Molar Refractivity: 94.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 62.97
ACD/KOC (pH 5.5): 497.87
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 179.50
ACD/KOC (pH 7.4): 1419.24
Polar Surface Area: 79 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 250.3±7.0 cm3

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