Found 8 results

Search term: GNTVWGDQPXCYBV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5S)-5-[(1R)-1-(1H-Indol-3-yl)ethyl]-2-(methylamino)-4-oxo-4,5-dihydro-1,3-oxazol-3-ium | C14H16N3O2

(5S)-5-[(1R)-1-(1H-Indol-3-yl)ethyl]-2-(methylamino)-4-oxo-4,5-dihydro-1,3-oxazol-3-ium

  • Molecular FormulaC14H16N3O2
  • Average mass258.295 Da
  • Monoisotopic mass258.123688 Da
  • ChemSpider ID58164166

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-5-[(1R)-1-(1H-Indol-3-yl)ethyl]-2-(methylamino)-4-oxo-4,5-dihydro-1,3-oxazol-3-ium [German] [ACD/IUPAC Name]
(5S)-5-[(1R)-1-(1H-Indol-3-yl)ethyl]-2-(methylamino)-4-oxo-4,5-dihydro-1,3-oxazol-3-ium [ACD/IUPAC Name]
(5S)-5-[(1R)-1-(1H-Indol-3-yl)éthyl]-2-(méthylamino)-4-oxo-4,5-dihydro-1,3-oxazol-3-ium [French] [ACD/IUPAC Name]
4(5H)-Oxazolone, 5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-, conjugate monoacid, (5S)- [ACD/Index Name]
indolmycin
indolmycin cation
indolmycin(1+)
  • Miscellaneous

    • Chemical Class:

      An organic cation obtained by protonation at position 3 in the oxazole ring of indolmycin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:91179

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

Density:
Boiling Point: 420.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.3±26.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.40
ACD/KOC (pH 5.5): 211.05
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.40
ACD/KOC (pH 7.4): 211.05
Polar Surface Area: 68 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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