ChemSpider 2D Image | Aspartic Acid-4-Carboxymethyl Ester | C6H9NO6

Aspartic Acid-4-Carboxymethyl Ester

  • Molecular FormulaC6H9NO6
  • Average mass191.139 Da
  • Monoisotopic mass191.042984 Da
  • ChemSpider ID16743844

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-4-(carboxymethoxy)-4-oxobutanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-(carboxymethoxy)-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-(carboxyméthoxy)-4-oxobutanoïque [French] [ACD/IUPAC Name]
Aspartic Acid-4-Carboxymethyl Ester
L-Aspartic acid, 4-(carboxymethyl) ester [ACD/Index Name]
1041747-25-4 [RN]
AHI
DESCARBOXY-NOR-N(ω)-HYDROXY-L-ARGININE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 485.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.2±6.0 kJ/mol
Flash Point: 247.1±28.7 °C
Index of Refraction: 1.527
Molar Refractivity: 38.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -4.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 74.7±3.0 dyne/cm
Molar Volume: 124.4±3.0 cm3

Click to predict properties on the Chemicalize site


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