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Search term: XLRAIUMUVOXBBC (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-({[3-({[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl}amino)propyl]sulfanyl}methyl)adenosine | C22H31N7O6S

N-({[3-({[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl}amino)propyl]sulfanyl}methyl)adenosine

  • Molecular FormulaC22H31N7O6S
  • Average mass521.590 Da
  • Monoisotopic mass521.205627 Da
  • ChemSpider ID115362
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

125162-97-2 [RN]
Adenosine, N-[[[3-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]amino]propyl]thio]methyl]- [ACD/Index Name]
N-({[3-({[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl}amino)propyl]sulfanyl}methyl)adenosin [German] [ACD/IUPAC Name]
N-({[3-({[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl}amino)propyl]sulfanyl}methyl)adenosine [ACD/IUPAC Name]
N-({[3-({[3-Hydroxy-5-(hydroxyméthyl)-2-méthyl-4-pyridinyl]méthyl}amino)propyl]sulfanyl}méthyl)adénosine [French] [ACD/IUPAC Name]
Adenosine, N-(((3-(((3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl)methyl)amino)propyl)thio)methyl)-
Adenosine-N(6)-methyl-propylthioether-N-pyridoxamine
Amptep
N-(((3-(((3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl)methyl)amino)propyl)thio)methyl)adenosine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 942.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.6±3.0 kJ/mol
Flash Point: 523.6±37.1 °C
Index of Refraction: 1.749
Molar Refractivity: 129.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.84
Polar Surface Area: 216 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 72.3±7.0 dyne/cm
Molar Volume: 317.8±7.0 cm3

Click to predict properties on the Chemicalize site






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