ChemSpider 2D Image | (3S,4R)-3-(Carboxymethyl)-4-(2-hydroxyphenyl)-L-proline | C13H15NO5

(3S,4R)-3-(Carboxymethyl)-4-(2-hydroxyphenyl)-L-proline

  • Molecular FormulaC13H15NO5
  • Average mass265.262 Da
  • Monoisotopic mass265.095032 Da
  • ChemSpider ID23234470

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,4R)-3-(Carboxymethyl)-4-(2-hydroxyphenyl)-L-prolin [German] [ACD/IUPAC Name]
(3S,4R)-3-(Carboxymethyl)-4-(2-hydroxyphenyl)-L-proline [ACD/IUPAC Name]
(3S,4R)-3-(Carboxyméthyl)-4-(2-hydroxyphényl)-L-proline [French] [ACD/IUPAC Name]
L-Proline, 3-(carboxymethyl)-4-(2-hydroxyphenyl)-, (3S,4R)- [ACD/Index Name]
(2S,3S,4R)-3-Carboxymethyl-4-(2-hydroxy-phenyl)-pyrrolidine-2-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL351255/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 496.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 254.3±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 65.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -2.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 191.8±3.0 cm3

Click to predict properties on the Chemicalize site


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