ChemSpider 2D Image | (3R)-N-(Carboxymethyl)-3-hydroxy-L-aspartic acid | C6H9NO7

(3R)-N-(Carboxymethyl)-3-hydroxy-L-aspartic acid

  • Molecular FormulaC6H9NO7
  • Average mass207.138 Da
  • Monoisotopic mass207.037903 Da
  • ChemSpider ID25064510

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-N-(Carboxymethyl)-3-hydroxy-L-asparaginsäure [German] [ACD/IUPAC Name]
(3R)-N-(Carboxymethyl)-3-hydroxy-L-aspartic acid [ACD/IUPAC Name]
Acide (3R)-N-(carboxyméthyl)-3-hydroxy-L-aspartique [French] [ACD/IUPAC Name]
L-Aspartic acid, N-(carboxymethyl)-3-hydroxy-, (3R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1206304/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 512.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.2±6.0 kJ/mol
Flash Point: 263.7±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 39.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -5.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 100.9±3.0 dyne/cm
Molar Volume: 118.5±3.0 cm3

Click to predict properties on the Chemicalize site


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