ChemSpider 2D Image | selenoneine | C9H15N3O2Se

selenoneine

  • Molecular FormulaC9H15N3O2Se
  • Average mass276.194 Da
  • Monoisotopic mass277.032959 Da
  • ChemSpider ID34449139

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(2-Selenoxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylammonio)propanoat [German] [ACD/IUPAC Name]
(2S)-3-(2-Selenoxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate [ACD/IUPAC Name]
(2S)-3-(2-Sélénoxo-2,3-dihydro-1H-imidazol-4-yl)-2-(triméthylammonio)propanoate [French] [ACD/IUPAC Name]
1H-Imidazole-4-ethanaminium, α-carboxy-2,3-dihydro-N,N,N-trimethyl-2-selenoxo-, inner salt, (αS)- [ACD/Index Name]
selenoneine
(2S)-3-(2-selenoxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylazaniumyl)propanoate
2-selenyl-N(α),N(α),N(α)-trimethyl-L-histidine
selenoergothioneine
selnoneine thione
  • Miscellaneous

    • Chemical Class:

      A histidine derivative that is <element>N</element><smallsup><locant>alpha</locant></smallsup>,<element>N</element><smallsup><locant>alpha</locant></smallsup>,<element>N</element><smallsup><locant>alp ha</locant></smallsup>-trimethyl-<stereo>L</stereo>-histidine substituted by a selenoxo group at position 2 on the imidazole ring. A selenium-containing antioxidant found in tuna blood. ChEBI CHEBI:79071
      A histidine derivative that is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine substituted by a selenoxo group at position 2 on the imidazole ring. A selenium-containing antioxidant found in tuna blo od. ChEBI CHEBI:79071
      A histidine derivative that is Nalpha,Nalpha,Nalp; ha-trimethyl-L-histidine substituted by a selenoxo group at position 2 on the imidazole ring. A selenium-containing antioxidant found in tuna blood. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:79071

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -4.04
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: 64 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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