Found 1 result

Search term: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](C[S@+](CC[C@H]([NH3+])C([O-])=O)CC([O-])=O)[C@@H](O)[C@H]1O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2S)-2-Amino-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(carboxymethyl)sulfonio]butanoate (non-preferred name) | C16H22N6O7S

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

  • Molecular FormulaC16H22N6O7S
  • Average mass442.447 Da
  • Monoisotopic mass442.127075 Da
  • ChemSpider ID58837402

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2S)-2-Amino-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(carboxymethyl)sulfonio]butanoat (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-2-Amino-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(carboxymethyl)sulfonio]butanoate (non-preferred name) [ACD/IUPAC Name]
(2S)-2-Amino-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyl}(carboxyméthyl)sulfonio]butanoate (non-preferred name) [French] [ACD/IUPAC Name]
S-adenosyl-S-carboxymethyl-L-homocystein
carboxy-S-adenosyl-L-methionine
carboxy-S-adenosyl-L-methionine
carboxy-SAM
Cx-SAM
S-adenosyl-S-carboxymethyl-L-homocystein
S-adenosyl-S-carboxymethyl-L-homocysteine dizwitterion
  • Miscellaneous

    • Chemical Class:

      A sulfonium betaine obtained by deprotonation of the carboxy groups and protonation of the amino group of <element>S</element>-adenosyl-<element>S</element>-carboxymethyl-<stereo>L</stereo>-homocystei ne. Major microspecies at pH 7.3 ChEBI CHEBI:134278
      A sulfonium betaine obtained by deprotonation of the carboxy groups and protonation of the amino group of S-adenosyl-S-carboxymethyl-L-homocysteine. Major microspecies at pH 7.3 ChEBI CHEBI:134278

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: 13
#H bond donors: 8
#Freely Rotating Bonds: 9
#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: 223 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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