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Search term: GGJFWMOVUFBSIN-AIRLBKTGSA-O (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-4-[{[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)selenonio]-2-ammoniobutanoate (non-preferred name) | C15H23N6O5Se

(2S)-4-[{[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)selenonio]-2-ammoniobutanoate (non-preferred name)

  • Molecular FormulaC15H23N6O5Se
  • Average mass446.340 Da
  • Monoisotopic mass447.088959 Da
  • ChemSpider ID25058833

  • Charge - Charge

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2S)-4-[{[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)selenonio]-2-ammoniobutanoat (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-4-[{[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)selenonio]-2-ammoniobutanoate (non-preferred name) [ACD/IUPAC Name]
(2S)-4-[{[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyl}(méthyl)sélénonio]-2-ammoniobutanoate (non-preferred name) [French] [ACD/IUPAC Name]
[(3S)-3-amino-3-carboxypropyl](5'-deoxyadenosin-5'-yl)(methyl)selenonium
[(3S)-3-azaniumyl-3-carboxylatopropyl](5'-deoxyadenosin-5'-yl)(methyl)selenonium
L-adenosylselenomethionine
L-adenosylselenomethionine zwitterion
Se-adenosyl-L-selenomethionine
Se-adenosyl-L-selenomethionine zwitterion
Se-Adenosylselenomethionine
  • Miscellaneous

    • Chemical Class:

      A selenomethionine consisting of L-selenomethionine having an adenosyl group attached to the selenium. ChEBI CHEBI:9066
      An organic cation that is the zwitterionic tautomer of L-adenosylselenomethionine arising from shift of the proton from the carboxy group to the amino group; major species at pH 7.3. ChEBI CHEBI:62227

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: 11
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations:
ACD/LogP:
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: 183 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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