ChemSpider 2D Image | (2S)-2-Amino-4-[2-(~15~N)aminophenyl]-4-oxo(~13~C_4_)butanoic acid | C613C4H12N15NO3

(2S)-2-Amino-4-[2-(15N)aminophenyl]-4-oxo(13C4)butanoic acid

  • Molecular FormulaC613C4H12N15NO3
  • Average mass213.178 Da
  • Monoisotopic mass213.095245 Da
  • ChemSpider ID111310829
  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-2-Amino-4-[2-(15N)aminophenyl]-4-oxo(13C4)butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-[2-(15N)aminophenyl]-4-oxo(13C4)butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-[2-(15N)aminophényl]-4-oxo(13C4)butanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic-α,β,γ,carboxy-13C4 acid, α-amino-2-(amino-15N)-γ-oxo-, (αS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 54.8±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 154.9±3.0 cm3

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