ChemSpider 2D Image | 4-Nitrobenzyl 2-(hydroxymethyl)-4-[(methylsulfonyl)oxy]-1-pyrrolidinecarboxylate | C14H18N2O8S

4-Nitrobenzyl 2-(hydroxymethyl)-4-[(methylsulfonyl)oxy]-1-pyrrolidinecarboxylate

  • Molecular FormulaC14H18N2O8S
  • Average mass374.366 Da
  • Monoisotopic mass374.078400 Da
  • ChemSpider ID57455669

More details:

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

1-Pyrrolidinecarboxylic acid, 2-(hydroxymethyl)-4-[(methylsulfonyl)oxy]-, (4-nitrophenyl)methyl ester [ACD/Index Name]
2-(Hydroxyméthyl)-4-[(méthylsulfonyl)oxy]-1-pyrrolidinecarboxylate de 4-nitrobenzyle [French] [ACD/IUPAC Name]
4-Nitrobenzyl 2-(hydroxymethyl)-4-[(methylsulfonyl)oxy]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
4-Nitrobenzyl-2-(hydroxymethyl)-4-[(methylsulfonyl)oxy]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(2S,trans)-4-Nitrobenzyl 2-(hydroxymethyl)-4-((methylsulfonyl)oxy)pyrrolidine-1-carboxylate
(4-NITROPHENYL)METHYL 2-(HYDROXYMETHYL)-4-(METHANESULFONYLOXY)PYRROLIDINE-1-CARBOXYLATE
MFCD18800446 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 619.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 328.6±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 85.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.45
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.97
ACD/KOC (pH 5.5): 56.56
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 56.56
Polar Surface Area: 147 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 247.9±5.0 cm3

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