ChemSpider 2D Image | 5'-S-[1-(2-{[(2-Amino-7,7-dimethyl-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)carbonyl]amino}ethyl)-4-piperidinyl]-5'-thioadenosine | C26H36N12O5S

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

  • Molecular FormulaC26H36N12O5S
  • Average mass628.706 Da
  • Monoisotopic mass628.265259 Da
  • ChemSpider ID26327018

  • 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)carbonyl]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)carbonyl]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)carbonyl]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)carbonyl]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)carbonyl]amino]ethyl]-4-piperidinyl]-5'-thio- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.863
Molar Refractivity: 156.0±0.5 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.53
ACD/LogD (pH 5.5): -5.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 88.9±7.0 dyne/cm
Molar Volume: 345.6±7.0 cm3

Click to predict properties on the Chemicalize site


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