ChemSpider 2D Image | (R)-tert-Butyl 3-((6-methoxy-2-(methylthio)pyrimidin-4-yl)oxy)pyrrolidine-1-carboxylate | C15H23N3O4S

(R)-tert-Butyl 3-((6-methoxy-2-(methylthio)pyrimidin-4-yl)oxy)pyrrolidine-1-carboxylate

  • Molecular FormulaC15H23N3O4S
  • Average mass341.426 Da
  • Monoisotopic mass341.140930 Da
  • ChemSpider ID28303787

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-{[6-Méthoxy-2-(méthylsulfanyl)-4-pyrimidinyl]oxy}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(R)-tert-Butyl 3-((6-methoxy-2-(methylthio)pyrimidin-4-yl)oxy)pyrrolidine-1-carboxylate
1354009-81-6 [RN]
1-Pyrrolidinecarboxylic acid, 3-[[6-methoxy-2-(methylthio)-4-pyrimidinyl]oxy]-, 1,1-dimethylethyl ester, (3R)- [ACD/Index Name]
2-Methyl-2-propanyl (3R)-3-{[6-methoxy-2-(methylsulfanyl)-4-pyrimidinyl]oxy}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3R)-3-{[6-methoxy-2-(methylsulfanyl)-4-pyrimidinyl]oxy}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(R)-3-(6-Methoxy-2-methylsulfanylpyrimidin-4-yloxy)pyrrolidine-1-carboxylic acid tert-butyl ester
(R)-3-(6-Methoxy-2-methylsulfanyl-pyrimidin-4-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
(R)-3-(6-Methoxy-2-methylsulfanyl-pyrimidin-4-yloxy)-pyrrolidine-1-carboxylicacidtert-butylester
MFCD21098815
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 476.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 241.7±28.7 °C
Index of Refraction: 1.561
Molar Refractivity: 88.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.81
ACD/KOC (pH 5.5): 726.92
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.81
ACD/KOC (pH 7.4): 726.94
Polar Surface Area: 99 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 273.3±5.0 cm3

Click to predict properties on the Chemicalize site


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