ChemSpider 2D Image | 5'-S-(2-Aminoethyl)-N-(4-nitrobenzyl)-5'-thioadenosine | C19H23N7O5S

5'-S-(2-Aminoethyl)-N-(4-nitrobenzyl)-5'-thioadenosine

  • Molecular FormulaC19H23N7O5S
  • Average mass461.495 Da
  • Monoisotopic mass461.148132 Da
  • ChemSpider ID29788052

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

5'-S-(2-Aminoethyl)-N-(4-nitrobenzyl)-5'-thioadenosin [German] [ACD/IUPAC Name]
5'-S-(2-Aminoethyl)-N-(4-nitrobenzyl)-5'-thioadenosine [ACD/IUPAC Name]
5'-S-(2-Aminoéthyl)-N-(4-nitrobenzyl)-5'-thioadénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-S-(2-aminoethyl)-N-[(4-nitrophenyl)methyl]-5'-thio- [ACD/Index Name]
130117-76-9 [RN]
5?-S-(2-Aminoethyl)-N6-[(4-nitrobenzyl)-5?-thioadenosine
5'-S-(2-Aminoethyl)-N-[(4-nitrophenyl)methyl]-5'-thio-adenosine
5'-S-(2-Aminoethyl)-N6-[(4-nitrobenzyl)-5'-thioadenosine
SAENTA

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

Density: 1.7±0.1 g/cm3
Boiling Point: 793.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 433.4±35.7 °C
Index of Refraction: 1.786
Molar Refractivity: 114.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.77
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.39
Polar Surface Area: 202 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 81.1±7.0 dyne/cm
Molar Volume: 271.5±7.0 cm3

Click to predict properties on the Chemicalize site


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