ChemSpider 2D Image | 5'-S-[1-(2-{[(2-Amino-7,7-dimethyl-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)methyl]amino}ethyl)-4-piperidinyl]-5'-thioadenosine | C26H38N12O4S

5'-S-[1-(2-{[(2-Amino-7,7-dimethyl-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)methyl]amino}ethyl)-4-piperidinyl]-5'-thioadenosine

  • Molecular FormulaC26H38N12O4S
  • Average mass614.723 Da
  • Monoisotopic mass614.285950 Da
  • ChemSpider ID26327017
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

5'-S-[1-(2-{[(2-Amino-7,7-dimethyl-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)methyl]amino}ethyl)-4-piperidinyl]-5'-thioadenosin [German] [ACD/IUPAC Name]
5'-S-[1-(2-{[(2-Amino-7,7-dimethyl-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)methyl]amino}ethyl)-4-piperidinyl]-5'-thioadenosine [ACD/IUPAC Name]
5'-S-[1-(2-{[(2-Amino-7,7-diméthyl-4-oxo-1,4,7,8-tétrahydro-6-ptéridinyl)méthyl]amino}éthyl)-4-pipéridinyl]-5'-thioadénosine [French] [ACD/IUPAC Name]
5'-S-[1-(2-{[(2-Amino-7,7-Dimethyl-4-Oxo-3,4,7,8-Tetrahydropteridin-6-Yl)methyl]amino}ethyl)piperidin-4-Yl]-5'-Thioadenosine
Adenosine, 5'-S-[1-[2-[[(2-amino-3,4,7,8-tetrahydro-7,7-dimethyl-4-oxo-6-pteridinyl)methyl]amino]ethyl]-4-piperidinyl]-5'-thio- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.846
Molar Refractivity: 155.2±0.5 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -4.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 252 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 84.3±7.0 dyne/cm
Molar Volume: 348.4±7.0 cm3

Click to predict properties on the Chemicalize site






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