ChemSpider 2D Image | (4R)-4-(3-Methoxy-3-oxopropyl)-L-glutamic acid | C9H15NO6

(4R)-4-(3-Methoxy-3-oxopropyl)-L-glutamic acid

  • Molecular FormulaC9H15NO6
  • Average mass233.219 Da
  • Monoisotopic mass233.089935 Da
  • ChemSpider ID23341822

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2s,4r)-4-(3-Methoxy-3-Oxopropyl) Glutamic Acid
(4R)-4-(3-Methoxy-3-oxopropyl)-L-glutamic acid [ACD/IUPAC Name]
(4R)-4-(3-Methoxy-3-oxopropyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
Acide (4R)-4-(3-méthoxy-3-oxopropyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, 4-(3-methoxy-3-oxopropyl)-, (4R)- [ACD/Index Name]
(2S,4R)-2-amino-4-(3-methoxy-3-oxopropyl)pentanedioic acid
(2S,4R)-4-(3-Methoxy-3-oxopropyl)glutamic Acid
2QE
CHEMBL482080
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL482080/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 409.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±6.0 kJ/mol
Flash Point: 201.5±28.7 °C
Index of Refraction: 1.510
Molar Refractivity: 52.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -4.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 174.3±3.0 cm3

Click to predict properties on the Chemicalize site


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