ChemSpider 2D Image | 5'-S-(3-{[(3R)-1,2,3,4-Tetrahydro-3-isoquinolinylcarbonyl]amino}propyl)-5'-thioadenosine | C23H29N7O4S

5'-S-(3-{[(3R)-1,2,3,4-Tetrahydro-3-isoquinolinylcarbonyl]amino}propyl)-5'-thioadenosine

  • Molecular FormulaC23H29N7O4S
  • Average mass499.586 Da
  • Monoisotopic mass499.200165 Da
  • ChemSpider ID35034792

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5'-S-(3-{[(3R)-1,2,3,4-Tetrahydro-3-isochinolinylcarbonyl]amino}propyl)-5'-thioadenosin [German] [ACD/IUPAC Name]
5'-S-(3-{[(3R)-1,2,3,4-Tétrahydro-3-isoquinoléinylcarbonyl]amino}propyl)-5'-thioadénosine [French] [ACD/IUPAC Name]
5'-S-(3-{[(3R)-1,2,3,4-Tetrahydro-3-isoquinolinylcarbonyl]amino}propyl)-5'-thioadenosine [ACD/IUPAC Name]
5'-S-(3-{[(3r)-1,2,3,4-Tetrahydroisoquinolin-3-Ylcarbonyl]amino}propyl)-5'-Thioadenosine
Adenosine, 5'-S-[3-[[[(3R)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl]amino]propyl]-5'-thio- [ACD/Index Name]
2D5

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.790
Molar Refractivity: 128.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.68
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.08
Polar Surface Area: 186 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 75.1±7.0 dyne/cm
Molar Volume: 303.8±7.0 cm3

Click to predict properties on the Chemicalize site


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