ChemSpider 2D Image | (3R,4R)-tert-butyl 3-amino-4-((2,5-dimethoxyphenylsulfonyl)methyl)pyrrolidine-1-carboxylate | C18H28N2O6S

(3R,4R)-tert-butyl 3-amino-4-((2,5-dimethoxyphenylsulfonyl)methyl)pyrrolidine-1-carboxylate

  • Molecular FormulaC18H28N2O6S
  • Average mass400.490 Da
  • Monoisotopic mass400.166809 Da
  • ChemSpider ID24609521
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R,4R)-tert-butyl 3-amino-4-((2,5-dimethoxyphenylsulfonyl)methyl)pyrrolidine-1-carboxylate
(3S,4R)-3-Amino-4-{[(2,5-diméthoxyphényl)sulfonyl]méthyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3-amino-4-[[(2,5-dimethoxyphenyl)sulfonyl]methyl]-, 1,1-dimethylethyl ester, (3S,4R)- [ACD/Index Name]
2-Methyl-2-propanyl (3S,4R)-3-amino-4-{[(2,5-dimethoxyphenyl)sulfonyl]methyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S,4R)-3-amino-4-{[(2,5-dimethoxyphenyl)sulfonyl]methyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(3R,4R)-tert-Butyl 3-amino-4-((2,5-dimethoxyphenyl sulfonyl)methyl)pyrrolidine-1-carboxylate
1253789-88-6 [RN]
1253850-60-0 [RN]
MFCD22422778 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 577.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.3±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -1.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.44
Polar Surface Area: 117 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 329.8±3.0 cm3

Click to predict properties on the Chemicalize site






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