ChemSpider 2D Image | (2S)-2-Ammonio-5-{[2-(4-{[5-(ammoniomethyl)-3-furyl]methoxy}phenyl)ethyl]amino}-5-oxopentanoate | C19H26N3O5

(2S)-2-Ammonio-5-{[2-(4-{[5-(ammoniomethyl)-3-furyl]methoxy}phenyl)ethyl]amino}-5-oxopentanoate

  • Molecular FormulaC19H26N3O5
  • Average mass376.426 Da
  • Monoisotopic mass376.186707 Da
  • ChemSpider ID58163966

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Ammonio-5-{[2-(4-{[5-(ammoniomethyl)-3-furyl]methoxy}phenyl)ethyl]amino}-5-oxopentanoat [German] [ACD/IUPAC Name]
(2S)-2-Ammonio-5-{[2-(4-{[5-(ammoniomethyl)-3-furyl]methoxy}phenyl)ethyl]amino}-5-oxopentanoate [ACD/IUPAC Name]
(2S)-2-Ammonio-5-{[2-(4-{[5-(ammoniométhyl)-3-furyl]méthoxy}phényl)éthyl]amino}-5-oxopentanoate [French] [ACD/IUPAC Name]
L-Glutamine, N-[2-[4-[[5-(aminomethyl)-3-furanyl]methoxy]phenyl]ethyl]-, inner salt, conjugate acid [ACD/Index Name]
(2S)-2-azaniumyl-5-{[2-(4-{[5-(azaniumylmethyl)furan-3-yl]methoxy}phenyl)ethyl]amino}-5-oxopentanoate
(4-{4-[2-(γ-L-glutamylamino)ethyl]phenoxymethyl}furan-2-yl)methanamine
(4-{4-[2-(γ-L-glutamylamino)ethyl]phenoxymethyl}furan-2-yl)methanamine(1+)
  • Miscellaneous

    • Chemical Class:

      An alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino groups of (4-{4-[2-(gamma-L-glutamylamino)ethy; l]phenoxymethyl}furan-2-yl)methanamine: major spe cies at pH 7.3. ChEBI CHEBI:88055
      An alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino groups of (4-{4-[2-(gamma-L-glutamylamino)ethyl]phenoxymethyl}furan-2-yl)methanamine: major speci es at pH 7.3. ChEBI CHEBI:88055

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

Density:
Boiling Point: 666.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 357.1±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability:
Surface Tension:
Molar Volume:

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