ChemSpider 2D Image | (2S)-2-[(4S)-4-Ammonio-4-carboxylatobutyl]-2-aziridinecarboxylate | C8H13N2O4

(2S)-2-[(4S)-4-Ammonio-4-carboxylatobutyl]-2-aziridinecarboxylate

  • Molecular FormulaC8H13N2O4
  • Average mass201.200 Da
  • Monoisotopic mass201.088074 Da
  • ChemSpider ID128921013

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(4S)-4-Ammonio-4-carboxylatobutyl]-2-aziridincarboxylat [German] [ACD/IUPAC Name]
(2S)-2-[(4S)-4-Ammonio-4-carboxylatobutyl]-2-aziridinecarboxylate [ACD/IUPAC Name]
(2S)-2-[(4S)-4-Ammonio-4-carboxylatobutyl]-2-aziridinecarboxylate [French] [ACD/IUPAC Name]
2-Aziridinepentanoic acid, α-amino-2-carboxy-, inner salt, ion(1-), (αS,2S)- [ACD/Index Name]
2-(4-Amino-4-carboxybutyl)aziridine-2-carboxylic acid
Aziridino-dap

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

Density:
Boiling Point: 438.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±6.0 kJ/mol
Flash Point: 218.8±27.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.58
ACD/LogD (pH 5.5): -4.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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