ChemSpider 2D Image | (3S,4S)-4-Hydroxy-2-(4-methoxybenzyl)-3-pyrrolidinyl acetate | C14H19NO4

(3S,4S)-4-Hydroxy-2-(4-methoxybenzyl)-3-pyrrolidinyl acetate

  • Molecular FormulaC14H19NO4
  • Average mass265.305 Da
  • Monoisotopic mass265.131409 Da
  • ChemSpider ID24755431

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3S,4S)-4-Hydroxy-2-(4-methoxybenzyl)-3-pyrrolidinyl acetate [ACD/IUPAC Name]
(3S,4S)-4-Hydroxy-2-(4-methoxybenzyl)-3-pyrrolidinyl-acetat [German] [ACD/IUPAC Name]
3,4-Pyrrolidinediol, 2-[(4-methoxyphenyl)methyl]-, 3-acetate, (3S,4S)- [ACD/Index Name]
Acétate de (3S,4S)-4-hydroxy-2-(4-méthoxybenzyl)-3-pyrrolidinyle [French] [ACD/IUPAC Name]
(3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 398.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 194.9±27.9 °C
Index of Refraction: 1.558
Molar Refractivity: 70.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.21
Polar Surface Area: 68 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 218.7±5.0 cm3

Click to predict properties on the Chemicalize site


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